TopU-LBVS: A Realistic Multi Target Benchmark for Ligand Based Virtual Screening

T1Covered by 1 source · first reported by arXiv at 25 Sept, 04:00 UTC

arXiv:2609.29740v1 Announce Type: cross Abstract: Ligand-based virtual screening (LBVS) is a practical first-pass tool in early-stage drug discovery, but existing benchmarks can overestimate performance through random negatives, easy decoys, limited target coverage, and non-standardized evaluation…

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• T1TopU-LBVS: A Realistic Multi Target Benchmark for Ligand Based Virtual ScreeningarXiv25 Sept, 04:00