DOI: 10.1039/d6dd00025h ISSN: 2635-098X
Generative virtual screening: from search to generate and back
Morgan Thomas, Raul Astudillo, Yasir S. Raouf, Carles Navarro, Gianni De Fabritiis, Andreas BenderBigger chemical spaces promise more hits in drug discovery. We map the trade-offs between scalability, progressability, and evaluability, and position Generative Virtual Screening as a practical, ground-truth-anchored hybrid strategy.