David Palmer

According to our database, David Palmer authored at least 12 papers between 2006 and 2026.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2026

Query Matters: How Selection Strategies Influence Active Learning in Drug Discovery.

Huw J. Williams, Stephen D. Pickett, Andrew Baxter, David S. Palmer

J. Chem. Inf. Model., 2026

2025

Benchmarking 3D Structure-Based Molecule Generators.

Natasha Sanjrani, Damien E. Coupry, Peter Pogány, David S. Palmer, Stephen D. Pickett

J. Chem. Inf. Model., 2025

2024

bbSelect - An Open-Source Tool for Performing a 3D Pharmacophore-Driven Diverse Selection of R-Groups.

Francesco Rianjongdee, David Palmer, Stephen D. Pickett, Peter Pogány, Nicholas C. O. Tomkinson, Darren V. S. Green

J. Chem. Inf. Model., 2024

2023

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., February, 2023

2020

Multisolvent Models for Solvation Free Energy Predictions Using 3D-RISM Hydration Thermodynamic Descriptors.

Vigneshwari Subramanian, Ekaterina Ratkova, David Palmer, Ola Engkvist, Maxim V. Fedorov, Antonio Llinàs

J. Chem. Inf. Model., 2020

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

2018

Comparative Molecular Field Analysis Using Molecular Integral Equation Theory.

Samiul M. Ansari, David S. Palmer

J. Chem. Inf. Model., 2018

Optimal water networks in protein cavities with GAsol and 3D-RISM.

Lucia Fusani, Ian D. Wall, David Palmer, Álvaro Cortés Cabrera

Bioinform., 2018

2016

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

2008

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

2007

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

2006

Chemoinformatics-Based Classification of Prohibited Substances Employed for Doping in Sport.

Edward O. Cannon, Andreas Bender, David S. Palmer, John B. O. Mitchell

J. Chem. Inf. Model., 2006