A Zero-Shot Single-Point Chemical Language Model Mimics Medicinal Chemist Reasoning for Molecular Optimization and STING Inhibitor Development in Alzheimer’s Disease
Drug development relies heavily on the ability of medicinal chemists to identify productive, localized structural modifications that improve potency, selectivity, and developability while preserving favorable features of a lead scaffold. Here, we introduce the Single-Point Chemical Language Model (SpCLM), a zero-shot m...
Peng Gao, Ying Qin, Zhilian Dai et al.
· ChemRxiv · 0 citations