SABLE is a modular, open-source agentic framework that combines LLM orchestration, reaction-constrained analog enumeration, Bayesian optimization, and computational affinity and ADMET scoring to prioritize synthesis-feasible hit-to-lead candidates.
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A Modular Agentic Framework for Synthetically Constrained Multi-Objective Hit-to-Lead Optimization
SABLE is a modular, open-source agentic framework that combines LLM orchestration, reaction-constrained analog enumeration, Bayesian optimization, and computational affinity and ADMET scoring to prioritize synthesis-feasible hit-to-lead candidates.