arXiv Machine Learning July 22, 2026 By Yiming Qin, Kai Yi, Miruna Cretu, Sjors H. W. Scheres, Pietro Li\`o, Pascal Frossard

DBMol: Design of High-Affinity, Target-Specific Small Molecules through Structure Prediction Models

Read the original on arXiv Machine Learning →

arXiv:2607. 19237v1 Announce Type: new Abstract: Designing small molecule ligands that bind with high affinity to specific protein pockets is a fundamental goal in drug discovery, as small molecules constitute a major fraction of approved therapeutics.

Summary generated by The Flow from the publisher's feed. The full article lives at arXiv Machine Learning.

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