Vladimir Chupakhin

Repurposing High-Throughput Image Assays Enables Biological Activity Prediction for Drug Discovery

Jaak Simm, Günter Klambauer, Ádám Arany et al. · Cell chemical biology · 2018 · 247 citations · Full text

Drug Target, Engineering, Hit Identification +11

ExCAPE-DB: an integrated large scale dataset facilitating Big Data analysis in chemogenomics

Jiangming Sun, Nina Jeliazkova, Vladimir Chupakhin et al. · Journal of Cheminformatics · 2017 · 235 citations · Full text

Predicting Ligand Binding Modes from Neural Networks Trained on Protein–Ligand Interaction Fingerprints

Vladimir Chupakhin, Gilles Marcou, Igor I. Baskin et al. · Journal of Chemical Information and Modeling · 2013 · 59 citations

Engineering, Molecular Biology, True Ligands +25

Industry-scale application and evaluation of deep learning for drug target prediction

Noé Sturm, Andreas Mayr, Thanh Le Van et al. · Journal of Cheminformatics · 2020 · 52 citations · Full text

Discovery of <i>N</i>-(Pyridin-4-yl)-1,5-naphthyridin-2-amines as Potential Tau Pathology PET Tracers for Alzheimer’s Disease

Frederik Rombouts, José-Ignacio Andrés, Manuela Ariza et al. · Journal of Medicinal Chemistry · 2017 · 40 citations

Pharmaceutical Science, Modest Selectivity Versus, Molecular Biology +22