MolDeTox is a new benchmark that shows fragment-level stepwise editing by LLMs and VLMs improves structural validity and detoxification quality over prior toxicity-focused evaluations.
Gotta be safe: a new framework for molecular design.Digital Discovery, 3(4):796–804
2 Pith papers cite this work. Polarity classification is still indexing.
2
Pith papers citing it
years
2026 2verdicts
UNVERDICTED 2representative citing papers
SGRPO expands the utility-diversity Pareto frontier in biomolecular design by using supergroup sampling and leave-one-out diversity rewards combined with utility signals.
citing papers explorer
-
MolDeTox: Evaluating Language Model's Stepwise Fragment Editing for Molecular Detoxification
MolDeTox is a new benchmark that shows fragment-level stepwise editing by LLMs and VLMs improves structural validity and detoxification quality over prior toxicity-focused evaluations.
-
Pushing Biomolecular Utility-Diversity Frontiers with Supergroup Relative Policy Optimization
SGRPO expands the utility-diversity Pareto frontier in biomolecular design by using supergroup sampling and leave-one-out diversity rewards combined with utility signals.