Varnek, Alexandre.
Alexandre Varnek
Varnek, Alexandre, 1955-
VIAF ID: 53685625 (Personal)
Permalink: http://viaf.org/viaf/53685625
Preferred Forms
- 100 0 _ ‡a Alexandre Varnek
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- 100 1 _ ‡a Varnek, Alexandre
- 100 1 _ ‡a Varnek, Alexandre
- 100 1 _ ‡a Varnek, Alexandre
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- 100 1 _ ‡a Varnek, Alexandre
- 100 1 _ ‡a Varnek, Alexandre
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4xx's: Alternate Name Forms (4)
5xx's: Related Names (4)
- 511 2 _ ‡a Chimie de la matière complexe (Strasbourg)
- 551 _ _ ‡a Straßburg ‡4 ortw ‡4 https://d-nb.info/standards/elementset/gnd#placeOfActivity
- 511 2 _ ‡a Université de Strasbourg (2009-....)
- 510 2 _ ‡a Université de Strasbourg ‡4 affi ‡4 https://d-nb.info/standards/elementset/gnd#affiliation ‡e Affiliation
Works
Title | Sources |
---|---|
AntiMalarial Mode of Action (AMMA) Database: Data Selection, Verification and Chemical Space Analysis | |
Application de réseaux de neurones profonds à des stratégies de drug design basées sur la structure de protéines cibles. | |
Application of the mol2vec Technology to Large-size Data Visualization and Analysis | |
Assessment of tautomer distribution using the condensed reaction graph approach. | |
Bimolecular Nucleophilic Substitution Reactions: Predictive Models for Rate Constants and Molecular Reaction Pairs Analysis | |
Cartographie de l'espace chimique. | |
CGRdb2.0: A Python Database Management System for Molecules, Reactions, and Chemical Data | |
CGRtools: Python Library for Molecule, Reaction, and Condensed Graph of Reaction Processing | |
Chemical cartography and complex systems modeling. | |
Chemography: Searching for Hidden Treasures | |
Chemoinformatics approaches to virtual screening, 2008: | |
Comprehensive data analysis and predictive chemoinformatics models for REACH related physicochemical and (eco)toxicity properties. | |
Computational screening methodology identifies effective solvents for CO2 capture | |
Computer-aided design of novel antithrombotic agents | |
Computer-aided design of tubulin polymerization modulators. | |
Computer-aided drug design of broad-spectrum antiviral compounds | |
Conception des nouveaux agents anti-thrombiques assistée par ordinateur. | |
Conjugated Quantitative Structure-Property Relationship Models: Application to Simultaneous Prediction of Tautomeric Equilibrium Constants and Acidity of Molecules | |
Consensus QSAR models estimating acute toxicity to aquatic organisms from different trophic levels: algae, Daphnia and fish | |
CovaDOTS: In Silico Chemistry-Driven Tool to Design Covalent Inhibitors Using a Linking Strategy | |
Design and application of deep learning methods to structure-based drug design | |
Development in silico platform for ADME-Tox prediction. | |
Devoloppement of new in-silico screening methods in chemogenomics. | |
Etudes de systèmes chalcogénures binaires et ternaires par dynamique moléculaire ab-initio. | |
Exploration par chémographie des espaces chimiques ultra-larges pour la chimie médicinale | |
Extraction d'Europium (III) par des ligands BTP vers des liquides ioniques : aspects interfaciaux et mécanistiques étudiés par dynamique moléculaire | |
First-principles investigation of binary and ternary amorphous chalcogenide systems | |
Génération de nouvelles molécules et réactions par intelligence artificielle guidée par la chemographie | |
Graphes condensés de réactions, applications à la recherche par similarité, la classification et la modélisation | |
HyFactor: A Novel Open-Source, Graph-Based Architecture for Chemical Structure Generation | |
In Vitro Evaluation of In Silico Screening Approaches in Search for Selective ACE2 Binding Chemical Probes | |
Inductive transfer of knowledge : QSAR modeling of ADME properties. | |
Integrated Strategy for Lead Optimization Based on Fragment Growing: The Diversity-Oriented-Target-Focused-Synthesis Approach | |
L'approche par transfert inductif des connaissances : application à la modélisation QSAR des propriétés pharmacocinétiques | |
Mapping of the Available Chemical Space versus the Chemical Universe of Lead-like Compounds | |
Modèles multiples en QSAR/QSPR : Développement de nouvelles approches et leurs applications au design "in silico" de nouveaux extractants de métaux, aux propriétés ADMETox ainsi qu'à différentes activités biologiques de molécules organiques | |
Modèles QSPR multiples pour les constants de stabilité de complexes métaux : Ligands organiques en solution et de points de fusion de liquides ioniques. | |
Modeling and visualization of complex chemical data using local descriptors | |
La modélisation et la visualisation de données chimiques complexes en utilisant les descripteurs locaux. | |
Modélisation QSAR et QSPR de propriétés d'intérêt pour le criblage et la sécurité des composés | |
Modélisation QSPR de mélanges binaires non-additifs : application au comportement azéotropique | |
Modélisation structure-propriété avec des techniques avancées d'apprentissage automatique | |
Modelling of ready biodegradability based on combined public and industrial data sources | |
Molecular Similarity Perception Based on Machine-Learning Models | |
Nouvelles méthodes d'analyse multi-échelle de l'espace chimique : visualisation de relations structure-activité et l'extraction des motifs structuraux. | |
De Novo Molecular Design by Combining Deep Autoencoder Recurrent Neural Networks with Generative Topographic Mapping | |
Parallel Generative Topographic Mapping: an Efficient Approach for Big Data Handling | |
Predicting Highly Enantioselective Catalysts Using Tunable Fragment Descriptors** | |
Predictive cartography of metal binders using generative topographic mapping | |
Predictive models for kinetic and thermodynamic parameters of reactions. | |
Privileged Structural Motif Detection and Analysis Using Generative Topographic Maps | |
Property-enriched fragment descriptors for adaptive QSAR | |
Publicly available QSPR models for environmental media persistence | |
QSAR and QSPR modelling of properties of interest for compound screening and safety. | |
QSAR without borders | |
QSPR modeling of non-additive binary mixtures : application to the azeotropic behaviour. | |
QSPR modelling of technologically interesting solvents : the ionic liquids and the electrolytes for Li-ion batteries. | |
Réseaux neuronaux à base de graphes pour la génération de structures moléculaires synthétiquement accessibles | |
Serum-based differentiation between multiple sclerosis and amyotrophic lateral sclerosis by Random Forest classification of FTIR spectra | |
Structure-activity relationships for metabolism and toxicity. | |
Structure-property modeling with advanced machine learning techniques. | |
SynthI: A New Open-Source Tool for Synthon-Based Library Design | |
Theoretical study of the Ing-Manske reaction : application to the synthesis of the methyle pyrazepate. | |
Trustworthiness, the Key to Grid-Based Map-Driven Predictive Model Enhancement and Applicability Domain Control | |
Tutorials in chemoinformatics | |
Virtual Screening with Generative Topographic Maps: How Many Maps Are Required? | |
Visualization and Analysis of Complex Reaction Data: The Case of Tautomeric Equilibria |