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News/TopU-LBVS: A Realistic Multi Target Benchmark for Ligand Based Virtual Screening
arxiv
PublishedSeptember 25, 2026 at 4:00 AM

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

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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 p

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