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Documentation Index

Fetch the complete documentation index at: https://docs.revilico.bio/llms.txt

Use this file to discover all available pages before exploring further.

Why Use Compound Review?

Compound Review is Revilico’s collaborative workspace for reviewing, annotating, and discussing molecular libraries across a research team. Instead of passing spreadsheets over email or maintaining separate local copies, teams create named review sessions from a shared SMILES dataset and work through molecular annotations, computed property analyses, and go/no-go decisions within a single tracked environment.
Compound Review Interface

Background

Lead optimization and compound triage in drug discovery require iterative review cycles where medicinal chemists, computational scientists, and project managers evaluate the same set of molecules from different angles. Compound Review centralizes this process by attaching a review session to a molecular dataset, enabling annotations, analysis results, and shared notes to accumulate in one place rather than fragmenting across individual workflows.

Creating a Review Session

A review session is created by providing a session name (e.g., “Lead Optimization Batch 1”), an optional description for project context, and uploading a CSV file containing molecular SMILES data. The SMILES column is auto-detected from common header names including smiles, smileString, SMILES, and similar variants, and can appear at any position in the file. Molecule IDs can be auto-generated from the row index if the input file does not contain an explicit identifier column. Once created, the session is accessible under the Compound Review tab for the creating user and under the Shared with Me tab for all team members with access.

Interface Tabs

Compound Review tab — The primary workspace. Displays the molecular library loaded from the uploaded CSV with 2D structure rendering for each compound. Reviewers can annotate individual molecules, flag compounds for follow-up, and record decisions. Analysis tab — Connects to Revilico’s computational engines to run property predictions, similarity searches, or docking scores against the loaded compound set and display the results in the context of the review session. Shared with Me tab — Lists all review sessions shared by other team members, enabling cross-functional access to the same dataset and its accumulated annotations without requiring file transfers.

Running the Engine

Inputs

FieldRequiredDescription
Review NameYesDescriptive name for the session (e.g., “Lead Optimization Batch 1”)
DescriptionNoFree-text notes about the purpose or context of the review
Auto-generate Molecule IDsNoAssign sequential IDs when the input file lacks an identifier column
CSV FileYesCSV with a SMILES column; header variants auto-detected

Outputs

  • Compound library view: 2D structure rendering for each molecule in the uploaded set
  • Annotation layer: Per-molecule flags, notes, and decision records
  • Analysis integration: Computed properties and engine outputs attached to the session
  • Shared access: Session visible to all invited team members under their Shared with Me tab