Using Molhaven

1. Set up a laboratory

Sign in or register at app.molhaven.com. You can use an email address and password or Google sign-in. Create a laboratory or accept an invitation to an existing one. If you belong to several laboratories, select the active laboratory in the header before entering or changing data.

Start with existing records

A new laboratory can show a Bring your existing data panel. Use it to upload the files you currently use to record compounds and samples, such as spreadsheets, CSV files or SDF files. This submits a setup request for manual preparation. It does not immediately import the files or create inventory. The request remains in processing until it is handled. The panel stops appearing after the laboratory has its first inventory item.

If you already have an SDF file suitable for import, use Workflows → Import SDF directly. Excel and CSV files submitted for setup assistance are not processed by the SDF importer.

Start manually

1. Open Workflows → Storages and create a root location, for example a room.
2. Add the shelves, cabinets, racks or boxes that you use. Create containers with cells only where you need individual sample positions.
3. Register a compound from All Compounds → Add compound.
4. Add an inventory item for that compound, select its storage location and enter its quantity and unit.
5. Invite laboratory members and assign their roles and storage scopes in Administration.

The setup checklist links to initial tasks. Some steps are optional and can be acknowledged without completing their associated configuration. Your checklist choices are saved; the checklist is not a requirement to use every module.

2. Navigation and record types

The interface distinguishes chemical identity from a physical sample. Understanding that distinction is necessary when adding stock, attaching analytical data or recording an operation.

Editor searches by structure. All Compounds browses the compound registry. Inventory lists physical items. Notebook contains experiments. Workflows contains storage, safety records, reports, projects, equipment, purchases, suppliers, compound groups, SDF import and tags. Administration contains members, roles, audit history, settings and subscription management.

On a phone, the sections of Workflows and Administration appear as one row that scrolls sideways, with the selected section kept in view. Its content follows below at full height and scrolls with the page.

A section or action may be absent because your current laboratory role does not permit it. A storage scope can restrict the items and equipment you see without removing unrelated capabilities from your role. The account menu contains your profile, permissions, API access, support and sign-out. The scanning button is in the header.

3. Compound registration and search

Find a compound

In All Compounds, search by name, registration number or SMILES. Use the available filters to narrow the registry, then use pagination or the page-number field to navigate the result. Selecting a compound opens a short preview. The Details button opens its full page; Copy SMILES copies the structure representation.

In Editor, draw or paste a structure in Ketcher and select Exact, Substructure or Similarity search. Exact search looks for the chemical structure, substructure search looks for compounds containing the drawn fragment, and similarity search returns structurally similar compounds. Use Search inventory to run the selected search.

Register or edit

1. Choose Add compound or Draw from an item or purchase form.
2. Draw, paste or load the structure in the editor. Continue to the properties form.
3. Review the name, registration information, CAS number, DOI, tags and hazard assessment, then save.

The compound page displays the structure, molecular formula, molecular weight, identifiers, tags, hazard assessment, related inventory and documents. In its inventory table, select a row to open the item. The storage path links to the item's location; Record operation changes that physical item's stock.

Compound groups organise registration series. In Workflows → Compound groups, manage the available groups and their numbering settings. Select the appropriate group when registering or importing compounds. Registration numbers identify compounds, not individual samples.

External lookup

The properties form can retrieve candidate data from PubChem or CAS Common Chemistry. Select the values you want to use rather than assuming the first candidate is correct. Name and CAS candidates may come from separate returned fields. Review the structure and identifiers before saving. CAS lookup requires the laboratory's configured integration credentials; an unavailable service or rejected key can prevent lookup without preventing manual entry.

Use Edit compound on the full compound page to change its shared metadata. These changes affect the compound referenced by every related item. To change one sample's purity, lot or expiry, edit the item instead.

Tags

Assign existing tags in the compound form or create a tag when permitted. Manage the laboratory's tag list in Workflows → Tags. Tags describe the compound and appear on its detail page; they are not item-specific batch fields. Use consistent tag names when filtering the registry.

4. Inventory items and item details

Inventory shows the items accessible to you in the active laboratory. The overview counts and the filtered result list serve different purposes: use the matching-item count to understand the current result. Search and filter by the available status, project, alerts and other criteria. Sorting and pagination operate on that result.

Select an item row to open its details. Selecting the compound registration number opens the compound preview instead. Use the inline Record operation action for a stock operation.

Add an item

1. Choose Add item in Inventory, add inventory from a compound page, or add an item from a storage location.
2. Select an existing compound by registration number, or use Draw to register one.
3. Select a storage node in the tree. If it is a container, select an empty cell. Starting from an empty cell preselects that position.
4. Enter the stock quantity and its unit. Add sample details as needed, then save.

Stock units are mg and ml. Displayed amounts are scaled for readability: for example, 1,500 mg is shown as 1.5 g and 100,000 ml as 100 l. This changes the display, not the sample's recorded unit. Use the unit specified beside an input rather than entering grams into an mg field.

Statuses are Available, Reserved, Quarantine, Empty and Disposed. Reserved or quarantined stock remains recorded but is distinguished from available stock. Low-stock and expiry alerts describe the item; they do not themselves consume, move or dispose of it.

The item page provides Details, Files and History. Its main actions include consuming stock, moving the sample, editing sample details and printing a label. Disposed records are accessible through the disposed-items view rather than being removed from history.

Record a price and estimate remaining value

Price describes an amount paid for a stated quantity of this item, in a stated currency. Enter all three together: for example, a price for 5,000 mg describes the full 5 g purchase, not a price per mg. Remaining value is estimated in proportion to the quantity left. A later stock adjustment therefore changes the estimate. Missing price data is shown as unavailable rather than inferred from another batch. Pricing visibility follows your inventory editing access.

5. Record stock operations

Use Record operation in an item table, or the corresponding action on the item page. Check the item, unit, current quantity and location before confirming. Operations record the acting user, time and quantity change; moves also record locations.

Use Dispose when discarding an item instead of deleting it from a storage list. Review History to distinguish consumption, quantity correction and disposal. If you need a new sample with its own batch, expiry or analytical data, create a separate item rather than adding stock to an unrelated batch.

When selecting stock for use, expiry-based recommendations can help identify items that should be used first. Check the sample's status, expiry, available amount and storage requirements before recording consumption.

6. Storage tree and containers

Open Workflows → Storages. The tree describes the hierarchy of physical locations. Use the search field to find a name or path and expand branches to select a location. Names containing numbers are sorted naturally, so Box-2 precedes Box-10.

Ordinary locations

Create a root node for a room or other top-level place. Add children for cabinets, freezers, shelves or racks. An ordinary node can have children and can contain several items. The selected node shows its items and actions. An item's full path identifies its position in the tree; renaming a parent changes the paths below it.

Use the node actions to edit the name, parent or conditions as permitted. Review the contents before removing a location. A location still referenced by inventory or other records may not be removable.

Containers with cells

In the create or edit dialog, enable Container, then choose a numbered container or a matrix. For a numbered container, enter the cell count. For a matrix, enter rows and columns, for example 10 × 10. Each cell holds one non-disposed item.

• A container must have a parent and must be a leaf. A root or an intermediate node with children cannot be converted into a container.
• A container cannot have child storage nodes.
• Click an empty cell to add an item at that position.
• Click an occupied cell to see the item's basic information and structure; choose Details to open the full item page.
• The cell view replaces the ordinary list of all items beneath the container. Numbered containers show up to 200 cells per page.

Containers have a different tree icon from ordinary storage locations. Export SDF is available where there are exportable items, and the label action can prepare labels for the selected location.

Fill a container by scanning

Select a container and choose Scan into box to place labelled items one after another. The action is available when you may add items at that location.

1. Choose the start cell; the first free cell is preselected. For a matrix, choose whether to fill row by row or column by column.
2. Scan item labels with a USB barcode scanner, which types the code and presses Enter, or choose Use camera. A code can also be typed and confirmed with Enter.
3. Each scanned item moves into the next free cell after the start cell. Occupied cells are skipped, and filling does not wrap round to the beginning of the container.
4. Choose Undo last to return the most recent item to the location it came from; repeat to undo earlier placements. Choose Done to close and refresh the cell view.

The live grid marks occupied cells, items placed in this session and the cell that the next item will take. Each placement is an ordinary move operation and appears in the item's history. The log in the dialog reports labels that are not inventory items, unknown or inaccessible items, items already in this container and a container with no free cells left. If another user takes the target cell at the same time, the next free cell is used.

7. Storage requirements and compatibility

Requirements are recorded on an inventory item. Capabilities are recorded on a storage node. This lets two samples of the same compound have different requirements.

Both sides can describe a temperature range in °C, protection from light, dry storage, inert atmosphere, ventilation, flammable-rated storage and secondary containment. An item's additional instructions are free text and should be read separately from the automatic checks.

Storage capabilities can be inherited from ancestors or explicitly set to provided or not provided. Review the effective conditions at the final destination, especially when a cabinet or box overrides a room's settings.

The laboratory setting for compatibility checks controls warnings when adding or moving stock. Off means no compatibility warnings. When enabled, missing, conflicting or unsuitable recorded capabilities can produce a warning. A warning is a comparison of entered data, not a sensor measurement. Unknown capability data should be completed rather than treated as confirmation that a location is suitable.

8. Documents and analytical references

Attach a file to the record it describes. Compound documents are shared chemical information; item documents describe a particular sample; project documents belong to a research project; equipment files describe an instrument or a performed service.

Sample analysis

The item Files section supports NMR, MS, HPLC and FTIR files, plus general documents. Analytical slots are associated with their technique. Review an existing slot before replacing its file. General documents can be used for other supporting material.

In Analytical references, enter text or a link for NMR, MS, HPLC or FTIR when the actual data is stored elsewhere. Each reference is limited to 255 characters. A reference does not upload the external file or change access rights in that external system. Melting point is a separate item field; it is not the FTIR file slot.

View analytical spectra

For supported analytical files, choose View spectrum. The viewer can read a ZIP of a Bruker experiment folder, JCAMP-DX, or a two-column table such as CSV. If the file contains several readable experiments, select one from the Experiment selector. Drag across the plot to zoom and double-click or use Reset zoom to return to the full range. Switch peak labels on or off where available.

Read the notes beneath the plot. Peaks are picked automatically as a guide; verify them against the source data. An unsupported vendor format can still be stored as a file; export a supported format from the instrument software when a plot is needed.

View a 3D structure

A readable PDB or MOL2 structure document can be opened with View 3D. Drag to rotate the model and scroll or pinch to zoom. Use Reset view to restore the initial view. This displays the coordinates in the uploaded file; it does not validate a compound's chemical identity or an experimental conformation.

Safety data sheets

Upload an SDS as a compound document of type Safety data sheet, recording the supplier and revision date when available. Use the compound page to find the sheet for all related inventory items. Updating a hazard assessment does not replace or verify an SDS.

Use a file's download action to retrieve it. Deleting an attachment removes that attachment, not its parent compound, item, project or equipment. Upload and delete permissions can differ from read permissions. File uploads count towards the laboratory's storage allowance.

9. Code 128, QR labels and scanning

From an item page, open the label action. Select Code 128 or QR and the available label format, then print or download it. Batch labels can be prepared from a storage location. Verify the printed size and readability on your actual printer before labelling a set of samples.

An item barcode identifies the item, not merely its compound registration number. Equipment labels use a separate identifier type. A QR label contains a link that resolves the associated record. Both still require a signed-in user with access to the active laboratory and record.

1. Open the scan action in the header.
2. Allow camera access and point at the label, or use the image-upload option to decode a saved label image.
3. After recognition, review the opened item or equipment page before performing an operation.

Camera access depends on the browser and is generally available over HTTPS or localhost. For a label that will not scan, check focus, contrast, the quiet area around the code and whether printing has clipped or stretched it. An unrecognised or inaccessible label does not grant access to a record.

To place many labelled items into a box or rack, use Scan into box on the container instead of moving each item separately.

During a stocktake, scanning records a finding in that session. Equipment labels are not inventory samples and cannot be counted as sample stocktake entries.

10. Physical stocktakes

Open Inventory → Stocktakes and start a session for the intended scope. A session takes a snapshot of the items visible to you and their expected locations. It does not freeze the laboratory's inventory.

1. Choose the storage area to check and start the stocktake.
2. Scan a sample label or enter its label code, then record where it was actually found and the observed quantity where requested.
3. Compare expected and observed information. Unknown labels and discrepancies remain as findings to review.
4. Review findings and choose the appropriate resolution: keep the current record, correct it, dispose of a missing/discarded item, or dismiss a finding with an explanation as offered by the form.
5. Complete the session after resolving pending findings. Export CSV to retain the results, or cancel the session if it should not be completed.

Scanning alone does not change an item's quantity or location. A corrective resolution is a separate inventory action. If an item changed since the session began, review its current state and acknowledge that before applying a correction.

For an unknown label, register the actual item through the normal storage workflow, scan the recognised item, and dismiss the original unknown finding with a reason. Do not reuse another sample's label simply to remove a discrepancy.

11. Purchase requests, approval and receipt

Open Workflows → Purchases to create a request. An active member can request a reagent; viewing the whole journal and approving, rejecting or receiving orders depend on purchasing permissions. Without journal-wide access, a requester can access their own requests.

Create and decide on a request

1. Select a compound by registration number or use the editor to register its structure.
2. Enter the requested quantity and unit, supplier, catalogue number, product URL, project and notes as needed. A supplier can be created from the request dialog.
3. Save the request. Pending requests can be edited before a decision.
4. An authorised member reviews the request. Use the stock-availability view to check existing samples before approving.
5. Approve the request or reject it with a reason. Approval records the decision; it does not place an order with a supplier or add stock.

Receive a delivery

1. Open an approved or partially received request and choose the receipt action.
2. Enter the amount actually received. It can differ from the originally requested amount.
3. Record receipt date, lot, expiry, notes and price/currency when applicable.
4. Allocate the delivery to an existing storage node and an available cell, or create a suitable new location. Split the received amount into multiple allocations if it is stored in several places.
5. Review the allocation amounts and confirm the receipt. The allocations create the associated inventory items.

Partial receipt keeps a request open for further deliveries. Use the completion option when the order should be considered fully received even if the final delivered amount differs from the request. Request status and receipt history show what was approved, what arrived and where it was placed. A reorder action can prefill a new request from existing inventory information.

12. Suppliers and catalogue integrations

Manage supplier records in Workflows → Suppliers, or create one while preparing a purchase request. A supplier stores its name, website, email and notes. Reuse an existing supplier to keep purchase history consistent.

The built-in Enamine integration has additional configuration such as an API key and its expiry date. Configure the integration, test the connection and use the available catalogue search or lookup action. Catalogue results can help fill a request, but you should check the product, pack size, unit, catalogue identifier and price before saving or ordering.

A manually added supplier does not automatically gain a catalogue integration. An integration request is a request for support, not an immediate connection. Keep credentials in the dedicated integration field rather than in shared notes.

13. Projects

Open Workflows → Projects and create a project with a code and name. Add its description, lead and dates where applicable. Projects can be selected in item, purchase and experiment forms.

Expand a project row to see its details, accessible inventory items, stock alerts and project documents. Open in Inventory opens the inventory filtered to that project. Upload protocols, reports or other project files in the documents section.

Archive a project when it is no longer active. Use the archived-project option to find it later. Archiving preserves the project's existing records; it is not a stock disposal operation. A project assignment organises work and does not grant access to otherwise restricted storage or items.

14. Synthesis notebook

Open Notebook to list and create experiments. Each experiment has a laboratory-specific number, title, author, project, status and dates. Use the available search and filters to find a record.

Prepare an experiment

1. Create a draft and enter the objective and project.
2. Draw or load the reaction in the editor.
3. Build the component table with reactants, reagents, catalysts, solvents and products. Select registered compounds or enter the necessary information for a row.
4. Set stoichiometric coefficients, the limiting component, equivalents and amounts. Supply molecular weight, density or solution information where needed for calculations.
5. Enter the procedure, observations and conclusion, and attach supporting documents.

Calculated amounts depend on the information entered for each component. A volume cannot be converted into moles without the relevant density or concentration. Check units and the limiting reagent before using a calculated scale or yield.

Connect the experiment to inventory

Choose the actual source item for a component before taking material from stock. Use the experiment's inventory action to record consumption; writing an amount in a table is not by itself evidence that the stock operation was performed. Product recording can create a compound/item in a chosen location. Review the recorded inventory links to distinguish planned amounts from material actually consumed or received.

Finish, witness and reuse

Complete a finished experiment to make the record read-only and preserve a PDF archive. An authorised user can reopen a completed experiment. Where used, ask another member to witness the completed record; the requested member can sign or decline with a comment. Witnessing and completion are recorded separately.

Use experiment copying or templates to start another draft rather than editing a completed run into a different experiment. Scaling a copy changes the planned experiment; review source items, quantities and dates before recording new operations. Draft deletion and reopening completed records require their respective permissions.

15. Equipment, maintenance and calibration

Open Workflows → Equipment. Search or filter the list by status or upcoming/overdue work. The summary distinguishes current equipment and due plans.

Register equipment

Create a record with a name, type, manufacturer, model, serial number, storage location, responsible member and notes. Add warranty and service-contract end dates where relevant. Status can be Active, Out of service or Retired. A user with storage-scoped equipment editing must select a location within that scope.

Open the equipment page to upload JPEG, PNG or WebP photos, view them at a larger size or remove them. Add manuals, certificates and other files separately under Documents. Read-only equipment access permits viewing; equipment editing is required to change records and attachments.

Set a service schedule

1. Add a maintenance or calibration plan to the equipment.
2. Enter its title, repeat interval in days, last-performed date when known and next due date. Enable the plan to include it in due checks.
3. When work has been done, select Record work, enter the performed date and notes, and save.
4. Attach a certificate or service report to the saved work record if needed.

Recording current work advances the plan's next due date by its interval. Adding older historical work does not move a newer last-performed date backwards. The work history records the user and date. Disabled plans and retired equipment do not generate maintenance reminders.

Upcoming alerts cover the next 30 days; overdue alerts concern dates already passed. Equipment alerts can be added to scheduled email reports. Use the label action to print a Code 128 or QR label; scanning it opens the equipment record. Equipment registration and service plans do not reserve instrument time.

16. Hazard assessments and storage reports

Hazard information belongs to a compound. In its edit form, set the assessment state and enter the applicable CLP hazard classes/categories and hazard statements. Review the saved information on compound and item pages. A compound without an assessment is shown as not assessed; missing data should not be interpreted as no hazard.

Use Workflows → Hazards by location to inspect the available storage hazard report. Select the relevant location and review the listed compounds, stock and classifications. The report can be exported in the offered CSV/PDF formats. TRGS 510 storage-class information and compatibility findings depend on the hazard information and inventory recorded in Molhaven.

Use the report to find missing assessments, identify relevant storage information and prepare a review. Verify the substance's current SDS and the physical storage arrangement before changing how it is stored. Entering an H-statement does not verify the laboratory's actual handling or segregation arrangements.

17. Precursor register

Open Workflows → Precursor register to review drug and explosives precursor information derived from compounds, current inventory and inventory movements. The register distinguishes the supported precursor categories and shows the available stock and movement records.

Use the relevant filters and period, inspect quantities and movement history, and export the register in its offered formats. A compound's correct identity, including its CAS information where used for matching, matters to classification. Check unclassified or incomplete records before relying on a report.

Record the laboratory's precursor licence information in the relevant settings. Missing, expiring or expired licence data can produce a notice when the laboratory holds relevant drug precursors. A notice uses the recorded licence details; it does not apply for, renew or confirm a licence with an authority.

18. Waste containers and disposal records

Open Workflows → Hazardous waste. Create a waste container with its label, waste category, European Waste Catalogue code and, when useful, capacity. Hazardous EWC codes use an asterisk.

1. Select the appropriate open container when recording waste or disposing of an inventory item.
2. Check the entered material, amount and unit. Manual waste entries are available for material that is not represented by an inventory item.
3. Review container contents and the reported fill level.
4. When material is collected for disposal, record the disposal company, manifest/reference number and handover date, then confirm handover.

The fill-level estimate uses recorded amounts and the capacity field. In the displayed estimate, solids are converted at one litre per kilogram; this is an accounting approximation, not a measured physical volume. Nearly full containers can appear in email notices.

Use the report period and available CSV/PDF actions to review waste records and handovers. Price/valuation information appears only where the corresponding inventory and pricing permissions allow it. Disposing an item and handing over a waste container are separate recorded events.

19. Usage, losses and waste reports

Workflows → Reports analyses recorded consumption, expired stock held, disposed stock and waste. Set the date range and the available storage, project and compound-group filters, then apply them. Choose day or month grouping where available.

Review the report basis as well as the totals. Consumption is based on recorded stock operations. Expired stock held describes stock remaining in inventory with an expiry date, and is different from material already disposed of. Waste is based on waste entries. The same physical material should not be interpreted as an additional independent loss merely because it appears in several views of its lifecycle.

Charts may combine dates into larger buckets for a long period; CSV retains the selected grouping. Preview tables can be limited, so use the offered export for a fuller report. CSV/PDF exports follow the selected filters and your current permissions.

Prices and estimated remaining value depend on a recorded price, currency and price quantity. Missing pricing data is not a zero-cost valuation. Totals in different currencies are kept separate rather than silently converted.

20. Scheduled email reports

Open Administration → Settings → Reports. Creating and editing schedules requires settings access.

1. Add a report and enter its name.
2. Select a daily or weekly schedule, local send time, timezone and weekday when applicable.
3. Choose the inventory alert types: low stock, expiring in 30 days and expired.
4. Optionally restrict the report to a storage subtree and/or a project.
5. Choose whether to include purchase requests and equipment maintenance/calibration alerts.
6. Select the eligible active laboratory members and save. Use the enabled switch to pause or resume sending.

Inventory recipients need inventory viewing access. When equipment alerts are included, a member with equipment viewing access can also be selected. Disabling equipment removes equipment-only recipients from the selection. Each email is filtered using the recipient's current rights at send time; choosing a recipient does not grant new access.

Inventory sections show counts and up to 25 matching items with quantities, locations and expiry details. The equipment section similarly shows due-work totals and a limited list. Purchase summaries include status totals and the latest requests. Storage filters do not apply to purchases; project filters do not apply to equipment. The form explains these differences.

Use Preview and select a saved recipient to inspect the email without sending it. Preview is also limited to what you, the viewer, can access. A recipient without inventory viewing access sees no inventory section or inventory action link. Check the next-send time, last-send information and any reported delivery failure when reviewing a schedule.

21. Import SDF

Open Workflows → Import SDF. The importer reads chemical structures and named SDF properties. It is not a general Excel/CSV importer; use a setup request for assistance converting other source records.

Upload, map and validate

1. Choose Upload SDF and select an SDF/SD file.
2. Wait for analysis to identify the source properties and sample values.
3. Select the registration/group settings offered by the import and map source properties to their intended fields. Leave irrelevant properties unmapped.
4. Map Storage if the file should create or update inventory. The remaining inventory-field controls appear after Storage is mapped.
5. Run validation. Review per-row errors, warnings, matching items and proposed storage locations or containers.
6. Correct the file or mapping if necessary and validate again. Confirm import only after reviewing the result.
7. Wait for processing and inspect the completion summary and row issues. Upload/analysis alone does not write compounds or items; confirmation starts the import.

Inventory properties are meaningful only with a storage destination. Use dates in YYYY-MM-DD form. Check quantity units explicitly: the stock parser accepts a non-negative number optionally followed by mg or ml. Prepare unsupported units before uploading rather than assuming they will be converted.

Storage paths and cells

Write ordinary paths as /Room/Rack/Box. Existing nodes are reused by their actual path. Different names such as Rack 1 and Rack-1 describe different nodes. Missing permitted paths can be created during import; inspect them in validation before confirming.

For a new numbered container, the importer can infer its capacity from the highest numeric Cell value at that path. Specify Cell Count when you need unused positions beyond the highest occupied cell. Creating a matrix requires both Cell Rows and Cell Columns. Do not mix numeric and matrix coordinates at one path. Existing containers must agree with the declared layout.

How an existing item is found

• With Item ID, the importer targets that item and validates the supplied identity and destination.
• Without Item ID, a container cell is matched to its current item. A different compound occupying the cell is an error.
• Without Item ID in an ordinary location, the importer matches storage + compound only if exactly one non-disposed item matches.
• If several items match that ordinary location and compound, validation reports ambiguity. Provide Item ID instead of expecting an arbitrary item to be chosen.
• If no item matches, a new item can be created, subject to the row and location checks.

Replace, Add and Reject

Set the quantity strategy in Administration → Settings → SDF Import before validating the file.

These strategies control quantity; they do not mean “overwrite every field.” Incoming item details fill blank fields. Existing nonblank values are preserved, with conflicts reported as warnings. A unit conflict or ambiguous target must be resolved rather than silently converted or duplicated. If the strategy changes after validation, validate again before confirming. Review the final import report for skipped/error rows rather than assuming every uploaded row was imported.

22. Export and reuse data

All Compounds exports compound structures and metadata as SDF. Inventory exports SDF using the current inventory filters, and a storage node can export the accessible items in its scope. Review the export options for the fields and label identifiers you want to include.

Compound exports describe chemical records. Inventory exports additionally describe physical items and locations. For reimporting samples unambiguously, retain Item ID and the intended storage/cell information where available. A compound registration number or a label identifier is not a substitute for Item ID in an import mapping.

CSV and PDF exports are available within their specific reporting workflows, including stocktake CSV, safety/precursor/waste reports and usage reports. They are not interchangeable with SDF backups. Experiment PDFs preserve experiment records rather than the entire laboratory.

Check the selected laboratory, filters and permissions before exporting. A restricted user exports the records they can access; an export is not a way to bypass a storage scope.

23. Members, roles and storage scopes

In Administration → Members, invite members, inspect their current laboratory role assignments, edit access or suspend access. A membership belongs to a laboratory; another laboratory can assign the same person different access.

In Roles, review the system roles and manage custom permission sets where permitted. Permissions distinguish viewing from changes, exports, document actions, imports, backups and administration. Seeing a compound does not automatically allow editing inventory or assigning roles.

Global and scoped assignments

A global assignment applies to its supported actions across the laboratory. A storage-scoped assignment applies the scope-aware capabilities to a selected node and its descendants. Scope selection uses the storage tree. A user assigning access cannot grant a scope above or outside their own permitted scope.

Scopes limit the capabilities that support scopes, such as inventory, storage, equipment and documents. They do not redefine unrelated global permissions. An item or instrument moved outside your scope may no longer be accessible to you.

Equipment viewing and editing are separate permissions. Notebook writing, draft deletion and reopening completed experiments are also distinct. If a new section is missing, check the role and active laboratory before treating the absence as missing data.

Suspending a member is different from removing their laboratory membership. Self-suspension and leaving/removing your own access show a warning because you may lose access immediately. Use the permissions view in the account menu to review your own effective access.

24. Laboratory settings, backups and audit history

Administration → Settings has CAS, SDF Import, Backups, Reports, Storage and Security sections. Changes generally require settings-management access. Compound numbering and group prefixes are managed under Workflows → Compound groups.

• CAS: configure the Common Chemistry integration and test the current credentials.
• SDF Import: choose the matched-item quantity strategy described above.
• Reports: configure the scheduled emails described in section 20.
• Storage: set the default currency, enable or disable storage compatibility warnings, and record the laboratory's precursor licence number and expiry date. Choosing a default currency does not convert existing prices.
• Security: require two-factor authentication for laboratory members and review how many have not enabled it. Set up your own two-factor authentication before enforcing the requirement.

Backups and restore

Use the Backups section to configure the available schedule, create a backup manually, inspect its history and download it. Backup viewing, creation and restore are separate permissions.

Before restoring, review the restore preview: nodes to create/remove and items to create/update/remove. A restore can change or remove current data to match the selected backup; it is not the same as adding rows with the SDF importer. Confirm the selected laboratory and backup before applying it. Do not assume a chemical-data backup is an archive of every document, experiment or configuration setting; review the backup's scope in the application.

Audit history

Open Administration → Audit log to inspect recorded changes. Filter by the offered criteria and inspect the actor, time, action, entity and changed fields. Item History is useful for a particular sample's stock operations; the audit log covers changes across the laboratory. Access to the audit log requires its own permission.

Subscription

The laboratory owner manages the subscription and usage in Administration → Subscription. Review member, compound and file-storage usage before a large migration. A non-active subscription or a reached plan limit can prevent writes or uploads even when a member has the corresponding role permission. Resolve billing/limits separately from role configuration.

25. Profile, security, support and API access

Open Profile from the account menu to edit personal details and choose the interface language. Email/report language follows the recipient's profile. The laboratory's settings are separate from your personal settings.

Use account security settings to manage the password, two-factor authentication and available recovery options. If a laboratory requires two-factor authentication, set it up for your account before accessing that laboratory. Keep recovery information available outside the account.

Notifications and messages

The bell in the header opens recent notifications and messages from Molhaven. Use View all notifications for the full paginated history, or filter Notifications and Messages. Opening a record marks it as read; Mark all as read applies to the selected category in the current laboratory.

Notifications cover completed or failed SDF imports, purchase requests and their decisions/receipts, and requests to witness an experiment. Open record takes you to the associated import, purchase or experiment. Messages can contain plain-text announcements with an optional application link. Global messages remain visible when switching laboratories; lab-targeted records appear only in the relevant laboratory.

The badge refreshes approximately every 30 seconds while the tab is visible and online, and immediately when you return to it. Access is checked again when reading, so records can disappear after permissions change, a message expires or it is withdrawn. Existing scheduled email reports have their own delivery settings.

Personal API tokens

1. Open API access from the account menu.
2. Create a token with a descriptive name, the appropriate read-only setting and an expiry period.
3. Copy the token immediately: the full secret is shown only at creation.
4. Use the API reference in the same page to inspect endpoints and authentication. Revoke the token when it is no longer needed.

A token uses your account's permissions in its laboratory context; it does not grant additional roles. A read-only token cannot perform writes. The interactive API reference can send real requests when authorised, so review the method and payload before executing an example.

Open Support from the account menu to submit a request. Include the affected section, the operation you attempted and any visible error. For import problems, identify the import job and relevant row numbers. Avoid placing credentials in shared notes or screenshots.

26. Troubleshooting common situations

A section or button is missing

Check the active laboratory, membership status and effective permissions. For an item or equipment record, also check the assigned storage scope. Ask a member authorised to manage roles to review the assignment.

The compound exists, but no stock appears

A compound can exist without inventory. Check the Inventory filters, item status and scope. Registering a compound alone does not create a physical sample.

An import proposes another rack or box

Compare the complete mapped path with the tree, including spaces and hyphens. Different names are different locations. Review proposed paths before confirming the import.

An import cannot choose an item

For ordinary storage, several samples of the same compound require Item ID. For a container, check the Cell mapping and whether the position already holds a different compound.

The import rejects a quantity or unit

Prepare stock in the supported mg/ml form and inspect the mapped property. Do not use text such as “fifteen cells” as stock. Container dimensions and the quantity of material are separate properties.

A file cannot be uploaded

Check the error, file size/type, upload permission, current subscription and storage usage. Equipment photos accept JPEG, PNG and WebP. A storage-service error does not indicate that a different role should be granted.

A scanner does not open the expected record

Check the active laboratory and sign-in, then try uploading a sharp image of the label. Verify that it is an item/equipment label recognised by Molhaven and that your role can view the record.

An email preview differs between recipients

This is expected when their permissions or storage scopes differ. Preview additionally intersects the recipient's rights with your own. Check the report's equipment/purchases switches and storage/project filters.

A service date did not move after adding historical work

An older work record is kept in history without replacing a newer last-performed date. Review the latest record and the plan interval.

A write is blocked despite an edit permission

Check the membership, destination scope, record state and subscription. Completed experiments, occupied cells and pending-only purchase edits have additional workflow restrictions.

If these checks do not explain the result, contact support with the record or job identifier and the steps needed to reproduce it.