9 citations · 10 across the 2 of their papers we have counts for
2 papers
q-bio.OT2024★ 1 cited
Data-centric challenges with the application and adoption of artificial intelligence for drug discovery
Ghita Ghislat, Saiveth Hernandez-Hernandez, Chayanit Piyawajanusorn +1
Introduction: Artificial intelligence (AI) is exhibiting tremendous potential to reduce the massive costs and long timescales of drug discovery. There are however important challen…
q-bio.QM2024★ 9 cited
Scaffold Splits Overestimate Virtual Screening Performance
Qianrong Guo, Saiveth Hernandez-Hernandez, Pedro J Ballester
Virtual Screening (VS) of vast compound libraries guided by Artificial Intelligence (AI) models is a highly productive approach to early drug discovery. Data splitting is crucial f…