Bio Reaction Enumeration | Agent Skills Atlas

About this skill

Enumerates virtual chemical libraries via reaction SMARTS transformations using RDKit and Reaction templates, with explicit handling of atom mapping, template extraction (RDKit reaction mining), product validation, RECAP/BRICS fragmentation, R-group decomposition, matched molecular pair analysis (MMPA), and Free-Wilson analysis. Use when generating combinatorial libraries from building blocks, enumerating analog series, deriving structure-activity rules, or extracting transformations from reaction data.

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0 potential findings · Scanned 11/4/2026 · Scanner 0.2.1

Content SHA-256: e58960dab0b25158dd35a2a39d60d81a50b0fc64ad1fc2bd70798d85302e251b

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Original listing metadata

Original name

bio-reaction-enumeration

Original description

About this listing

Category: Science & research
Reported license: Not specified
Listing language (estimated): English
Review status: Not individually reviewed
Agent compatibility: Atlas installation supports Claude Code, Codex, and Cursor. Skill-specific dependencies and features are checked during setup.