OPDiv: optimal selection of top-K high-scoring, diverse compounds
Read the original at arxiv.org→arXiv:2609.28665v1 Announce Type: new Abstract: A virtual screening campaign may produce thousands of promising candidates, but only a small number can be purchased, synthesized, or tested. The practical question is...
Original headline: "OPDiv: Optimal Selection of Top-K High-Scoring, Diverse Compounds"
Coverage timeline
- Sep 25, 04:00 UTC arXiv cs.LG lead source OPDiv: Optimal Selection of Top-K High-Scoring, Diverse Compounds