FORGE reformulates molecular optimization as context-aware fragment ranking and replacement using mined low-to-high edit pairs, outperforming larger language models and graph methods on standard benchmarks.
Journal of Chemical Information and Modeling , volume=
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FORGE: Fragment-Oriented Ranking and Generation for Context-Aware Molecular Optimization
FORGE reformulates molecular optimization as context-aware fragment ranking and replacement using mined low-to-high edit pairs, outperforming larger language models and graph methods on standard benchmarks.