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Total posts by Dragos Horvath: 15

publication · 1 month ago
Integrated Strategy for Lead Optimization Based on Fragment Growing: The Diversity-Oriented-Target-Focused-Synthesis Approach
by Dragos Horvath, Alexandre Varnek, Christophe Muller, Sébastien Combes, Philippe Roche, Xavier Morelli, Laurent Hoffer, Yuliia V. Voitovich, Brigitt Raux, Aleksey Y. Fedorov, Carine Derviaux, Agnes Amouric, Stephane Betzi, Yves Collette, Kendall Carrasco (Centre National pour la Recherche Scientifique (CNRS), Aix-Marseille University, Lobachevsky State University of Nizhni Novgorod)
publication · 10 months ago
Chemical Data Visualization and Analysis with Incremental Generative Topographic Mapping: Big Data Challenge
by Dragos Horvath, Gilles Marcou, Alexandre Varnek, Heléna A. Gaspar, Igor I. Baskin
presentation · 5 years ago
Developing new stuff on a solid basis: Academic applications of the ChemAxon API
by Dragos Horvath (Université de Strasbourg, Centre National pour la Recherche Scientifique (CNRS))
presentation · 6 years ago
Dealing with 'exotic' similarity metrics - live on the Web
by Dragos Horvath (Université de Strasbourg, Centre National pour la Recherche Scientifique (CNRS))
presentation · 7 years ago
The ScreenDB Virtual Screening Platform - Latest News
by Dragos Horvath (Université de Strasbourg, Centre National pour la Recherche Scientifique (CNRS))
publication · 7 years ago
Stochastic versus Stepwise Strategies for Quantitative Structure-Activity Relationship GenerationHow Much Effort May the Mining for Successful QSAR Models Take?
by Dragos Horvath, Fanny Bonachera, Alexandre Varnek, Vitaly Solovev, Cedric Gaudin (Université de Lille)
publication · 7 years ago
Predicting the Predictability: A Unified Approach to the Applicability Domain Problem of QSAR Models
by Dragos Horvath, Gilles Marcou, Alexandre Varnek (Université de Strasbourg, Centre National pour la Recherche Scientifique (CNRS))
publication · 7 years ago
Fuzzy Tricentric Pharmacophore Fingerprints. 2. Application of Topological Fuzzy Pharmacophore Triplets in Quantitative Structure? Activity Relationships
by Dragos Horvath, Fanny Bonachera (Université de Lille)
publication · 7 years ago
Fuzzy tricentric pharmacophore fingerprints. 1. Topological fuzzy pharmacophore triplets and adapted molecular similarity scoring schemes
by Dragos Horvath, Fanny Bonachera, Benjamin Parent, Frédérique Barbosa, Nicolas Froloff (Cerep, Université de Lille)
presentation · 8 years ago
Interactive structure standardization
by Dragos Horvath (Université de Strasbourg, Centre National pour la Recherche Scientifique (CNRS))
presentation · 9 years ago
Pharmacophore and physico-chemical property-colored fragmental descriptors 
by Dragos Horvath, Fiorella Ruggiu, Gilles Marcou, Alexandre Varnek (Université de Strasbourg, Centre National pour la Recherche Scientifique (CNRS))
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presentation · 11 years ago
VSEngine - Similarity & Property prediction based Virtual Screening Web Services
by Dragos Horvath (Université de Strasbourg, Centre National pour la Recherche Scientifique (CNRS))
presentation · 11 years ago
Docking@Grid-A Web Portal for Massively Parallel Flexible Docking, using the ChemAxon Toolkit
by Dragos Horvath (Université de Strasbourg, Centre National pour la Recherche Scientifique (CNRS))
poster · 12 years ago
Using ChemAxon tools in Accamba, a project for modelling screening results based on machine learning methods
by Dragos Horvath, Samia Aci, Céline Charavay, Samuel Wieczorek, Eric Maréchal, Gilles Bisson, Sylvaine Roy, Laurence Lafanechère (Commissariat à l’énergie atomique (CEA))
presentation · 12 years ago
pH-dependent Topological Fuzzy Pharmacophore Triplets
by Dragos Horvath (Université de Strasbourg, Centre National pour la Recherche Scientifique (CNRS))