Chemoinformatics-Based Classification of Prohibited Substances Employed for Doping in Sport. - Edward O. Cannon; Andreas Bender 002; David S. Palmer; John B. O. Mitchell (J. Chem. Inf. Model., 2006)

Random Forest Models To Predict Aqueous Solubility. - David S. Palmer; Noel M. O'Boyle; Robert C. Glen; John B. O. Mitchell (J. Chem. Inf. Model., 2007)

Why Are Some Properties More Difficult To Predict than Others? A Study of QSPR Models of Solubility, Melting Point, and Log P. - Laura D. Hughes; David S. Palmer; Florian Nigsch; John B. O. Mitchell (J. Chem. Inf. Model., 2008)

Are the Sublimation Thermodynamics of Organic Molecules Predictable? - James L. McDonagh; David S. Palmer; Tanja Van Mourik; John B. O. Mitchell (J. Chem. Inf. Model., 2016)

Optimal water networks in protein cavities with GAsol and 3D-RISM. - Lucia Fusani; Ian D. Wall; David Palmer 002; Álvaro Cortés Cabrera (Bioinform., 2018)

Comparative Molecular Field Analysis Using Molecular Integral Equation Theory. - Samiul M. Ansari; David S. Palmer (J. Chem. Inf. Model., 2018)

Exploring Ligand Stability in Protein Crystal Structures Using Binding Pose Metadynamics. - Lucia Fusani; David S. Palmer; Don O. Somers; Ian D. Wall (J. Chem. Inf. Model., 2020)

Multisolvent Models for Solvation Free Energy Predictions Using 3D-RISM Hydration Thermodynamic Descriptors. - Vigneshwari Subramanian; Ekaterina Ratkova; David Palmer 002; Ola Engkvist; Maxim V. Fedorov; Antonio Llinàs (J. Chem. Inf. Model., 2020)

Blinded Predictions and Post Hoc Analysis of the Second Solubility Challenge Data: Exploring Training Data and Feature Set Selection for Machine and Deep Learning Models. - Jonathan G. M. Conn; James W. Carter; Justin J. A. Conn; Vigneshwari Subramanian; Andrew Baxter; Ola Engkvist; Antonio Llinàs; Ekaterina Ratkova; Stephen D. Pickett; James L. McDonagh; David S. Palmer (J. Chem. Inf. Model., 2023)

bbSelect - An Open-Source Tool for Performing a 3D Pharmacophore-Driven Diverse Selection of R-Groups. - Francesco Rianjongdee; David Palmer 002; Stephen D. Pickett; Peter Pogány; Nicholas C. O. Tomkinson; Darren V. S. Green (J. Chem. Inf. Model., 2024)