Virtual Screening and Prediction of Site of Metabolism for Cytochrome P450 1A2 Ligands. - Poongavanam Vasanthanathan; Jozef Hritz; Olivier Taboureau; Lars Olsen; Flemming Steen Jørgensen; Nico P. E. Vermeulen; Chris Oostenbrink (J. Chem. Inf. Model., 2009)

Deciphering Diseases and Biological Targets for Environmental Chemicals using Toxicogenomics Networks. - Karine Audouze; Agnieszka Sierakowska Juncker; Francisco S. Roque; Konrad Krysiak-Baltyn; Nils Weinhold; Olivier Taboureau; Thomas Skøt Jensen; Søren Brunak (PLoS Comput. Biol., 2010)

ChemProt: a disease chemical biology database. - Olivier Taboureau; Sonny Kim Nielsen; Karine Audouze; Nils Weinhold; Daniel Edsgärd; Francisco S. Roque; Irene Kouskoumvekaki; Alina Bora; Ramona Curpan; Thomas Skøt Jensen; Søren Brunak; Tudor I. Oprea (Nucleic Acids Res., 2011)

Of possible cheminformatics futures. - Tudor I. Oprea; Olivier Taboureau; Cristian Bologa (J. Comput. Aided Mol. Des., 2012)

HExpoChem: a systems biology resource to explore human exposure to chemicals. - Olivier Taboureau; Ulrik Plesner Jacobsen; Christian Kalhauge; Daniel Edsgärd; Olga Rigina; Ramneek Gupta; Karine Audouze (Bioinform., 2013)

Discovery of a Novel Selective PPARγ Ligand with Partial Agonist Binding Properties by Integrated in Silico/in Vitro Work Flow. - Irene Kouskoumvekaki; Rasmus K. Petersen; Filip Fratev; Olivier Taboureau; Thomas E. Nielsen; Tudor I. Oprea; Si B. Sonne; Esben N. Flindt; Svava Ósk Jónsdóttir; Karsten Kristiansen (J. Chem. Inf. Model., 2013)

ChemProt-2.0: visual navigation in a disease chemical biology database. - Sonny Kim Kjærulff; Louis Wich; Jens Kringelum; Ulrik Plesner Jacobsen; Irene Kouskoumvekaki; Karine Audouze; Ole Lund; Søren Brunak; Tudor I. Oprea; Olivier Taboureau (Nucleic Acids Res., 2013)

ChemProt-3.0: a global chemical biology diseases mapping. - Jens Kringelum; Sonny Kim Kjærulff; Søren Brunak; Ole Lund; Tudor I. Oprea; Olivier Taboureau (Database J. Biol. Databases Curation, 2016)

sAOP: linking chemical stressors to adverse outcomes pathway networks. - Alejandro Aguayo-Orozco; Karine Audouze; Troels Siggaard; Robert Barouki; Søren Brunak; Olivier Taboureau (Bioinform., 2019)

Development of a chemogenomics library for phenotypic screening. - Bryan Dafniet; Natacha Cerisier; Batiste Boezio; Anaelle Clary; Pierre Ducrot; Thierry Dorval; Arnaud Gohier; David Brown; Karine Audouze; Olivier Taboureau (J. Cheminformatics, 2021)

ClassyPose: A Machine-Learning Classification Model for Ligand Pose Selection Applied to Virtual Screening in Drug Discovery. - Viet-Khoa Tran-Nguyen; Anne-Claude Camproux; Olivier Taboureau (Adv. Intell. Syst., 2024)

HERGAI: an artificial intelligence tool for structure-based prediction of hERG inhibitors. - Viet-Khoa Tran-Nguyen; Ulrick Fineddie Randriharimanamizara; Olivier Taboureau (J. Cheminformatics, 2025)