Simple Ligand–Receptor Interaction Descriptor (SILIRID) for alignment-free binding site comparison

by Chupakhin, Vladimir, Marcou, Gilles, Gaspar, Helena, Varnek, Alexandre
Published 2014

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

by Sun, Jiangming, Jeliazkova, Nina, Chupakhin, Vladimir, Golib-Dzib, Jose-Felipe, Engkvist, Ola, Carlsson, Lars, Wegner, Jörg, Ceulemans, Hugo, Georgiev, Ivan, Jeliazkov, Vedrin, Kochev, Nikolay, Ashby, Thomas J., Chen, Hongming
Published in J Cheminform (2017)

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

by Sun, Jiangming, Jeliazkova, Nina, Chupakhin, Vladimir, Golib-Dzib, Jose-Felipe, Engkvist, Ola, Carlsson, Lars, Wegner, Jörg, Ceulemans, Hugo, Georgiev, Ivan, Jeliazkov, Vedrin, Kochev, Nikolay, Ashby, Thomas J., Chen, Hongming
Published in J Cheminform (2017)

Repurposing high-throughput image assays enables biological activity prediction for drug discovery

by Simm, Jaak, Klambauer, Günter, Arany, Adam, Steijaert, Marvin, Wegner, Jörg Kurt, Gustin, Emmanuel, Chupakhin, Vladimir, Chong, Yolanda T., Vialard, Jorge, Buijnsters, Peter, Velter, Ingrid, Vapirev, Alexander, Singh, Shantanu, Carpenter, Anne E., Wuyts, Roel, Hochreiter, Sepp, Moreau, Yves, Ceulemans, Hugo
Published in Cell Chem Biol (2018)

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

by Sturm, Noé, Mayr, Andreas, Le Van, Thanh, Chupakhin, Vladimir, Ceulemans, Hugo, Wegner, Joerg, Golib-Dzib, Jose-Felipe, Jeliazkova, Nina, Vandriessche, Yves, Böhm, Stanislav, Cima, Vojtech, Martinovic, Jan, Greene, Nigel, Vander Aa, Tom, Ashby, Thomas J., Hochreiter, Sepp, Engkvist, Ola, Klambauer, Günter, Chen, Hongming
Published in J Cheminform (2020)