Predicting Oral Druglikeness by Iterative Stochastic Elimination. - Anwar Rayan; David Marcus; Amiram Goldblum (J. Chem. Inf. Model., 2010)

How Diverse Are Diversity Assessment Methods? A Comparative Analysis and Benchmarking of Molecular Descriptor Space. - Alexios Koutsoukas; Shardul Paricharak; Warren R. J. D. Galloway; David R. Spring; Adriaan P. IJzerman; Robert C. Glen; David Marcus; Andreas Bender 002 (J. Chem. Inf. Model., 2014)

Metrabase: a cheminformatics and bioinformatics database for small molecule transporter data analysis and (Q)SAR modeling. - Lora Mak; David Marcus; Andrew Howlett; Galina Yarova; Guus Duchateau; Werner Klaffke; Andreas Bender 002; Robert C. Glen (J. Cheminformatics, 2015)

Verifying the fully "Laplacianised" posterior Naïve Bayesian approach and more. - Hamse Y. Mussa; David Marcus; John B. O. Mitchell; Robert C. Glen (J. Cheminformatics, 2015)

BRADSHAW: a system for automated molecular design. - Darren V. S. Green; Stephen D. Pickett; Christopher N. Luscombe; Stefan Senger; David Marcus; Jamel Meslamani; David Brett; Adam Powell; Jonathan Masson (J. Comput. Aided Mol. Des., 2020)

Correction to: BRADSHAW: a system for automated molecular design. - Darren V. S. Green; Stephen D. Pickett; Christopher N. Luscombe; Stefan Senger; David Marcus; Jamel Meslamani; David Brett; Adam Powell; Jonathan Masson (J. Comput. Aided Mol. Des., 2020)

MELLODDY: Cross-pharma Federated Learning at Unprecedented Scale Unlocks Benefits in QSAR without Compromising Proprietary Information. - Wouter Heyndrickx; Lewis H. Mervin; Tobias Morawietz; Noé Sturm; Lukas Friedrich; Adam Zalewski; Anastasia Pentina; Lina Humbeck; Martijn Oldenhof; Ritsuya Niwayama; Peter Schmidtke; Nikolas Fechner; et al. (J. Chem. Inf. Model., 2024)