SCPT creates similarity-constrained preference triplets from scaffolds to train LLMs as conditional molecular editors that improve properties while keeping scaffolds intact.
Viraj Bagal, Rishal Aggarwal, P
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Scaffold-Conditioned Preference Triplets for Controllable Molecular Optimization with Large Language Models
SCPT creates similarity-constrained preference triplets from scaffolds to train LLMs as conditional molecular editors that improve properties while keeping scaffolds intact.