Izhar Wallach

Healthwise — United States

Computer Science · Physical Sciences

10h-index905citations15works54.02yr avg
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Research Topics

Computational Drug Discovery Methods(11), Protein Structure and Dynamics(5), Machine Learning in Materials Science(4), Microbial Natural Products and Biosynthesis(2), Breastfeeding Practices and Influences(2)

Publications15 total

Author Correction: AI is a viable alternative to high throughput screening: a 318-target study
Scientific Reports·2024· 1 citedOpen Access
AI is a viable alternative to high throughput screening: a 318-target study
Scientific Reports·2024· 107 citedOpen Access
Small-molecule targeting AMPA-mediated excitotoxicity has therapeutic effects in mouse models for multiple sclerosis
Science Advances·2023· 15 citedOpen Access
Quetiapine Excretion Into Human Breast Milk
Journal of Clinical Psychopharmacology·2018· 5 cited
Most Ligand-Based Benchmarks Measure Overfitting Rather than Accuracy.
2017· 5 cited
AtomNet: A Deep Convolutional Neural Network for Bioactivity Prediction in Structure-based Drug Discovery
arXiv (Cornell University)·2015· 529 citedOpen Access
Population <scp>PK</scp> modelling and simulation based on fluoxetine and norfluoxetine concentrations in milk: a milk concentration‐based prediction model
British Journal of Clinical Pharmacology·2014· 21 citedOpen Access
Improving Posing and Ranking of Molecular Docking
Library and Archives Canada (Government of Canada)·2013
Normalizing Molecular Docking Rankings using Virtually Generated Decoys
Journal of Chemical Information and Modeling·2011· 11 cited
Virtual Decoy Sets for Molecular Docking Benchmarks
Journal of Chemical Information and Modeling·2011· 58 cited
Pharmacophore inference and its application to computational drug discovery
Drug Development Research·2010· 10 cited
A Structure-Based Approach for Mapping Adverse Drug Reactions to the Perturbation of Underlying Biological Pathways
PLoS ONE·2010· 54 citedOpen Access
Predicting Multiple Ligand Binding Modes Using Self-Consistent Pharmacophore Hypotheses
Journal of Chemical Information and Modeling·2009· 8 cited
Prediction of sub-cavity binding preferences using an adaptive physicochemical structure representation
Bioinformatics·2009· 23 citedOpen Access
The protein–small-molecule database, a non-redundant structural resource for the analysis of protein-ligand binding
Bioinformatics·2009· 58 citedOpen Access

Frequent Co-authors

Ryan Lilien(6), Abraham Heifets(3), Kong T. Nguyen(3), Denzil Bernard(2), Gregory Ho(2), Adrian R. Morrison(2), Adrian Stecuła(2), Andreana M. Rosnik(2), Ann O’Sullivan(2), Aram Davtyan(2), Ben Samudio(2), Bill Thomas(2), Brad Worley(2), Brittany Butler(2), Christian Laggner(2), Desiree A. Thayer(2), Ehsan Moharreri(2), Greg Friedland(2), Ha H. Truong(2), Henry van den Bedem(2)