Thierry Kogej

According to our database, Thierry Kogej authored at least 13 papers between 2006 and 2022.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2022

LibINVENT: Reaction-based Generative Scaffold Decoration for <i>in Silico</i> Library Design.

Vendy Fialková, Jiaxi Zhao, Kostas Papadopoulos, Ola Engkvist, Esben Jannik Bjerrum, Thierry Kogej, Atanas Patronov

J. Chem. Inf. Model., 2022

2019

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

2018

Venn-Abers predictors for improved compound iterative screening in drug discovery.

Rubén Buendía, Ola Engkvist, Lars Carlsson, Thierry Kogej, Ernst Ahlberg

Proceedings of the 7th Symposium on Conformal and Probabilistic Prediction and Applications, 2018

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

J. Chem. Inf. Model., November, 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

Generating Focussed Molecule Libraries for Drug Discovery with Recurrent Neural Networks.

Marwin H. S. Segler, Thierry Kogej, Christian Tyrchan, Mark P. Waller

CoRR, 2017

2015

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

2013

Scaffold Hopping by Fragment Replacement.

Mikko J. Vainio, Thierry Kogej, Florian Raubacher, Jens Sadowski

J. Chem. Inf. Model., 2013

2012

Automated Recycling of Chemistry for Virtual Screening and Library Design.

Mikko J. Vainio, Thierry Kogej, Florian Raubacher

J. Chem. Inf. Model., 2012

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

ProSAR: A New Methodology for Combinatorial Library Design.

Hongming Chen, Ulf Borjesson, Ola Engkvist, Thierry Kogej, Mats Svensson, Niklas Blomberg, Dirk Weigelt, Jeremy N. Burrows, Tim Lange

J. Chem. Inf. Model., 2009

ChemGPS-NP_Web: chemical space navigation online.

Josefin Rosén, Anders Lövgren, Thierry Kogej, Sorel Muresan, Johan Gottfries, Anders Backlund

J. Comput. Aided Mol. Des., 2009

2006

Multifingerprint Based Similarity Searches for Targeted Class Compound Selection.

Thierry Kogej, Ola Engkvist, Niklas Blomberg, Sorel Muresan

J. Chem. Inf. Model., 2006