A KDD Approach for Designing Filtering Strategies to Improve Virtual Screening. - Leo Ghemtio; Malika Smaïl-Tabbone; Marie-Dominique Devignes; Michel Souchet; Bernard Maigret (KDIR, 2009)

Comparison of Three Preprocessing Filters Efficiency in Virtual Screening: Identification of New Putative LXRβ Regulators As a Test Case. - Leo Ghemtio; Marie-Dominique Devignes; Malika Smaïl-Tabbone; Michel Souchet; Vincent Leroux; Bernard Maigret (J. Chem. Inf. Model., 2010)

Simulation numérique et approche orientée connaissance pour la découverte de nouvelles molécules thérapeutiques. (Numeric simulation and knowledge-oriented approach for the discovery of new therapeutic molecules). - Leo Ghemtio (2010)

SVM Classification and CoMSIA Modeling of UGT1A6 Interacting Molecules. - Leo Ghemtio; Anne Soikkeli; Marjo Yliperttula; Jouni Hirvonen; Moshe Finel; Henri Xhaard (J. Chem. Inf. Model., 2014)

IDAAPM: integrated database of ADMET and adverse effects of predictive modeling based on FDA approved drug data. - Ashenafi Legehar; Henri Xhaard; Leo Ghemtio (J. Cheminformatics, 2016)

Structural Isosteres of Phosphate Groups in the Protein Data Bank. - Yuezhou Zhang; Alexandre Borrel; Leo Ghemtio; Leslie Regad; Gustav Boije af Gennäs; Anne-Claude Camproux; Jari Yli-Kauhaluoma; Henri Xhaard (J. Chem. Inf. Model., 2017)

Predictive classification models and targets identification for betulin derivatives as Leishmania donovani inhibitors. - Yuezhou Zhang; Henri Xhaard; Leo Ghemtio (J. Cheminformatics, 2018)