VECTOR+ combines contrastive learning and Gaussian mixture sampling to generate novel, synthetically plausible inhibitors from low-data datasets, with improved docking scores over known compounds.
Discovery of small-molecule inhibitors of the pd-1/pd-l1 axis that promote pd-l1 internalization and degradation
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Valid Property-Enhanced Contrastive Learning for Targeted Optimization & Resampling for Novel Drug Design
VECTOR+ combines contrastive learning and Gaussian mixture sampling to generate novel, synthetically plausible inhibitors from low-data datasets, with improved docking scores over known compounds.