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Overview

Once a RevBind screen has finished running — whether through RevDock (Static, Flexible, or Ensemble Docking) or Boltz2 Cofolding — you’ll have a set of poses and computed activity metrics for every compound in your library. Before those compounds move forward to synthesis and testing, they typically need a second set of eyes: a medicinal chemist who can review the 2D structures, flag problematic functional groups, and sign off on what actually gets made. This tutorial walks through exporting your RevBind results and triaging them into a RevStudio Compound Review session, where your MedChem team can review, annotate, tag, and approve compounds in a shared, structured workspace.
Export RevBind Results for MedChem Review — Watch Video

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When to Use This Workflow

This handoff pattern applies any time you’ve run a RevBind screen and need medicinal chemistry input before moving forward, regardless of which engine produced the results:
  • RevDock — Static Docking
  • RevDock — Flexible Docking
  • RevDock — Ensemble Docking
  • Boltz2 Cofolding
In every case, the export and triage steps are identical — only the source of the compound-by-compound metrics changes.

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Step 1: Export Your RevBind Results

1

Review your poses and analytics

After your RevBind screen completes, take a look at the poses and analytics in the results viewer to get a general sense of the run before exporting.
2

Scroll to the data table

Below the 3D viewer and summary analytics, scroll down to the compound-by-compound data table. This gives you a per-compound breakdown of every metric the engine calculated — docking scores, confidence, predicted activity, and so on.
3

Export the CSV

Click Export CSV and download the file.
4

Rename the SMILES column

Open the CSV and rename the column containing your molecular structures to SMILES. Your file should end up with a SMILES column containing the SMILES strings for every compound, alongside all of the computed metrics from your run.
RevStudio auto-detects common header variants such as smiles, SMILES, and smilesStrings, so exact casing isn’t critical — but keeping it clean and consistent makes the file easier to work with downstream.

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Step 2: Create a Compound Review Session

With your export in hand, the next step is to triage it to your medicinal chemistry team in RevStudio.
1

Navigate to Compound Review

From the Revilico OS dashboard, go to RevStudio → Compound Review.
2

Name your review session

Give the session a clear, descriptive run name (e.g., AXL-medchem-review).
3

Add context notes

Use the notes field to capture the purpose of the review — for example, noting the target and the fact that the set needs review and approval before moving to synthesis (e.g., “AXL target, needs review and approval before sending to synthesis”).
4

Drag and drop your CSV

Drag and drop the CSV file you exported and renamed in Step 1 into the upload area. RevStudio will detect the SMILES column automatically and generate 2D structure renderings for every compound in the set.
5

Confirm your session was created

Once processed, you’ll see your new review session listed with the compound count, session name, and creation date.

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Step 3: Share the Review Session

If your medicinal chemistry team needs access, share the session directly from RevStudio:
1

Open the share menu

Click Share on your review session.
2

Choose recipients and permissions

Share with the relevant user(s) and set their access as Read or Write. For internal team review, Read access is usually sufficient unless collaborators need to add their own annotations.
3

Close the share dialog

Once shared, close the dialog — the session is now available to your teammates under their Shared with Me tab.

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Step 4: Review Compounds

Inside a review session, you can switch between two layouts:
  • Card view — the default and most commonly used layout for stepping through compounds one at a time
  • Tabular view — a spreadsheet-style layout for scanning the full compound list at once

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Working Through the Compound Set

1

Browse your compounds

Once all compounds are loaded, list them out and click through each one to review its 2D structure and associated metrics.
2

Freeze panels for easier comparison

Freeze the left or right-hand side panel if you need a consistent reference point while scrolling through structures and data.
3

Like or dislike compounds

Use the like/dislike controls to record a quick directional call on each compound.
4

Add comments

Leave a comment on any compound to explain your reasoning — for example, noting that a functional group may not be feasible for the campaign, or that a substituent could introduce toxicity or metabolic instability.
5

Flag compounds

Flag compounds that need special attention or follow-up before moving forward.
6

Apply tags

Select or create tags to categorize compounds against structural or mechanistic criteria — for example, tagging compounds expected to engage a specific residue (e.g., Lys787). Tags can be created, modified, and deleted from the tag management panel.
RevStudio’s 3D structure visualizer will also surface within Compound Review sessions, letting you cross-reference the same tagging and flagging workflow against the 3D binding pose alongside the 2D structure.

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Accessing Shared Reviews

If a colleague has shared a review session with you, it will appear under the Shared with Me tab. Selecting a shared session gives you the exact same review tools described above — commenting, flagging, liking/disliking, and tagging — so your whole team works from one consistent set of annotations.

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Why This Matters

Compound Review turns a static CSV export into a living, structured checkpoint between computational screening and synthesis. Rather than passing spreadsheets back and forth over email, your medicinal chemistry team gets:
  • A shared, versioned view of every compound coming out of a RevBind screen
  • Structured annotations (flags, tags, comments) that capture why a decision was made, not just what the decision was
  • A single source of truth your team can reference before compounds are queued for synthesis and testing

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Next Steps