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Chemical and geometric representation fidelity improves drug--target affinity prediction

This story is from 2026-09-15. It is preserved in the archive; the latest stories are on the live feed.

arXiv:2609.13230v1 Announce Type: cross Abstract: Predicting drug--target binding affinity (DTA) requires models to distinguish subtle chemical and structural determinants underlying molecular recognition. Although recent approaches increasingly incorporate richer drug and protein information, such…

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  1. 2026-09-15 04:00 · arXiv stat.ML
    Chemical and geometric representation fidelity improves drug--target affinity prediction

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