Multifingerprint Based Similarity Searches for Targeted Class Compound Selection. - Thierry Kogej; Ola Engkvist; Niklas Blomberg; Sorel Muresan (J. Chem. Inf. Model., 2006)

ChemGPS-NPWeb: chemical space navigation online. - Josefin Rosén; Anders Lövgren; Thierry Kogej; Sorel Muresan; Johan Gottfries; Anders Backlund (J. Comput. Aided Mol. Des., 2009)

ProSAR: A New Methodology for Combinatorial Library Design. - Hongming Chen 001; Ulf Borjesson; Ola Engkvist; Thierry Kogej; Mats Svensson; Niklas Blomberg; Dirk Weigelt; Jeremy N. Burrows; Tim Lange 002 (J. Chem. Inf. Model., 2009)

Comparison of Molecular Fingerprint Methods on the Basis of Biological Profile Data. - Andreas Steffen; Thierry Kogej; Christian Tyrchan; Ola Engkvist (J. Chem. Inf. Model., 2009)

Automated Recycling of Chemistry for Virtual Screening and Library Design. - Mikko J. Vainio; Thierry Kogej; Florian Raubacher (J. Chem. Inf. Model., 2012)

Scaffold Hopping by Fragment Replacement. - Mikko J. Vainio; Thierry Kogej; Florian Raubacher; Jens Sadowski (J. Chem. Inf. Model., 2013)

Investigating Pharmacological Similarity by Charting Chemical Space. - Rosa Buonfiglio; Ola Engkvist; Péter L. Várkonyi; Astrid Henz; Elisabet Vikeved; Anders Backlund; Thierry Kogej (J. Chem. Inf. Model., 2015)

Generating Focussed Molecule Libraries for Drug Discovery with Recurrent Neural Networks. - Marwin H. S. Segler; Thierry Kogej; Christian Tyrchan; Mark P. Waller (CoRR, 2017)

Shared Consensus Machine Learning Models for Predicting Blood Stage Malaria Inhibition. - Andreas Verras; Chris L. Waller; Peter Gedeck; Darren V. S. Green; Thierry Kogej; Anandkumar Raichurkar; Manoranjan Panda; Anang A. Shelat; Julie Clark; R. Kiplin Guy; George Papadatos; Jeremy N. Burrows (J. Chem. Inf. Model., 2017)

Innovation in Small-Molecule-Druggable Chemical Space: Where are the Initial Modulators of New Targets Published? - Stephanie K. Ashenden; Thierry Kogej; Ola Engkvist; Andreas Bender 002 (J. Chem. Inf. Model., 2017)

Venn-Abers predictors for improved compound iterative screening in drug discovery. - Rubén Buendía; Ola Engkvist; Lars Carlsson; Thierry Kogej; Ernst Ahlberg (COPA, 2018)

Accurate Hit Estimation for Iterative Screening Using Venn-ABERS Predictors. - Rubén Buendía; Thierry Kogej; Ola Engkvist; Lars Carlsson; Henrik Linusson; Ulf Johansson; Paolo Toccaceli; Ernst Ahlberg (J. Chem. Inf. Model., 2019)

LibINVENT: Reaction-based Generative Scaffold Decoration for in Silico Library Design. - Vendy Fialková; Jiaxi Zhao; Kostas Papadopoulos; Ola Engkvist; Esben Jannik Bjerrum; Thierry Kogej; Atanas Patronov (J. Chem. Inf. Model., 2022)