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Total posts by Dragos Horvath: 15
publication
·
3 years 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
·
3 years 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
·
8 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
·
9 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
·
10 years ago
The ScreenDB Virtual Screening Platform - Latest News
by
Dragos Horvath
(
Université de Strasbourg
,
Centre National pour la Recherche Scientifique (CNRS)
)
publication
·
10 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
·
10 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
·
11 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
·
11 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
·
11 years ago
Interactive structure standardization
by
Dragos Horvath
(
Université de Strasbourg
,
Centre National pour la Recherche Scientifique (CNRS)
)
presentation
·
12 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)
)
featured
presentation
·
14 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
·
15 years ago
[email protected]
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
·
16 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
·
16 years ago
pH-dependent Topological Fuzzy Pharmacophore Triplets
by
Dragos Horvath
(
Université de Strasbourg
,
Centre National pour la Recherche Scientifique (CNRS)
)