The protein-small-molecule database, a non-redundant structural resource for the analysis of protein-ligand binding. - Izhar Wallach; Ryan H. Lilien (Bioinform., 2009)

Prediction of sub-cavity binding preferences using an adaptive physicochemical structure representation. - Izhar Wallach; Ryan H. Lilien (Bioinform., 2009)

Predicting Multiple Ligand Binding Modes Using Self-Consistent Pharmacophore Hypotheses. - Izhar Wallach; Ryan H. Lilien (J. Chem. Inf. Model., 2009)

Normalizing Molecular Docking Rankings using Virtually Generated Decoys. - Izhar Wallach; Navdeep Jaitly; Kong T. Nguyen; Matthieu Schapira; Ryan H. Lilien (J. Chem. Inf. Model., 2011)

Virtual Decoy Sets for Molecular Docking Benchmarks. - Izhar Wallach; Ryan H. Lilien (J. Chem. Inf. Model., 2011)

Improving Posing and Ranking of Molecular Docking. - Izhar Wallach (2013)

AtomNet: A Deep Convolutional Neural Network for Bioactivity Prediction in Structure-based Drug Discovery. - Izhar Wallach; Michael Dzamba; Abraham Heifets (CoRR, 2015)

Most Ligand-Based Benchmarks Measure Overfitting Rather than Accuracy. - Izhar Wallach; Abraham Heifets (CoRR, 2017)

Most Ligand-Based Classification Benchmarks Reward Memorization Rather than Generalization. - Izhar Wallach; Abraham Heifets (J. Chem. Inf. Model., 2018)