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Bioinformatics (Oxford, England)|March 19, 2010
A machine learning approach to predicting protein-ligand binding affinity with applications to molecular dockingPedro J Ballester, John B O MitchellJournal of the Royal Society, Interface|August 31, 2012
Hierarchical virtual screening for the discovery of new molecular scaffolds in antibacterial hit identificationPedro J Ballester, Martina Mangold, Nigel I Howard, et al.Future Medicinal Chemistry|March 25, 2011
Ultrafast shape recognition: method and applicationsPedro J BallesterDrug Discovery Today. Technologies|January 2, 2021
Selecting machine-learning scoring functions for structure-based virtual screeningPedro J BallesterWiley Interdisciplinary Reviews. Computational Molecular Science|October 7, 2014
Machine learning methods in chemoinformaticsJohn B O MitchellADMET & DMPK|March 18, 2022
Three machine learning models for the 2019 Solubility ChallengeJohn B O MitchellFuture Medicinal Chemistry|April 2, 2011
Informatics, machine learning and computational medicinal chemistryJohn B O MitchellBriefings in Bioinformatics|June 23, 2020
The impact of compound library size on the performance of scoring functions for structure-based virtual screeningLouison Fresnais, Pedro J BallesterJournal of Computational Chemistry|March 8, 2007
Ultrafast shape recognition to search compound databases for similar molecular shapesPedro J Ballester, W Graham RichardsPageof 13