{
  "id": 9676808,
  "title": "TopU-LBVS: A Realistic Multi Target Benchmark for Ligand Based Virtual Screening",
  "url": "https://urgent.news/2026/09/24/topu-lbvs-a-realistic-multi-target-benchmark-for-ligand-based-virtual",
  "topic": "ai",
  "section": "AI",
  "published": "2026-09-24T12:56:57.000Z",
  "source": {
    "name": "arXiv cs.AI",
    "slug": "arxiv-cs-ai",
    "url": "https://arxiv.org/abs/2609.29740v1"
  },
  "original_language": "en",
  "account": null,
  "summary": "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 protocols. We introduce TopU-LBVS, a multi-target benchmark for LBVS under hard-negative screening conditions. Starting from curated ChEMBL~35…",
  "key_points": [],
  "editors_take": null,
  "illustration": null,
  "coverage": {
    "outlets": 1,
    "also_reported_by": []
  },
  "ai_generated": true,
  "disclaimer": "Summaries, key points and the editor’s take are written by software from other outlets’ reporting and may contain errors — always check the linked original."
}