Dragos Horvath (D Horvath)

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2023
Publications (10 Years): 30

Top Topics

Molecular Dynamics Simulations

Arabidopsis Thaliana

Toxoplasma Gondii

Top Venues

Journal of chemical information and modeling

SAR and QSAR in environmental research

Molecular informatics

This page only lists publications with an associated author ORCID identifier.

Publications

Helena Perez Peña, Anne-Catherine Abel, Maxim Shevelev, Andrea E Prota, Stefano Pieraccini, Dragos Horvath
Computational Approaches to the Rational Design of Tubulin-Targeting Agents. Biomolecules 13 (2) (2023)
Helena Perez Peña, Anne-Catherine Abel, Maxim Shevelev, Andrea E Prota, Stefano Pieraccini, Dragos Horvath
Computational Approaches to the Rational Design of Tubulin-Targeting Agents. Biomolecules 13 (2) (2023)
Helena Perez Peña, Anne-Catherine Abel, Maxim Shevelev, Andrea E Prota, Stefano Pieraccini, Dragos Horvath
Computational Approaches to the Rational Design of Tubulin-Targeting Agents. Biomolecules 13 (2) (2023)
Helena Perez Peña, Anne-Catherine Abel, Maxim Shevelev, Andrea E Prota, Stefano Pieraccini, Dragos Horvath
Computational Approaches to the Rational Design of Tubulin-Targeting Agents. Biomolecules 13 (2) (2023)
Giuseppe Lamanna, Pietro Delre, Gilles Marcou, Alessandro Tossi, Alexander Varnek, Dragos Horvath, Giuseppe Felice Mangiatordi
GENERA: A Combined Genetic/Deep-Learning Algorithm for Multiobjective Target-Oriented De Novo Design. Journal of chemical information and modeling (2023)
Regina Pikalyova, Yuliana Zabolotna, Dragos Horvath, Gilles Marcou, Alexander Varnek
Meta-GTM: Visualization and Analysis of the Chemical Library Space. Journal of chemical information and modeling (2023)
Regina Pikalyova, Yuliana Zabolotna, Dragos Horvath, Gilles Marcou, Alexander Varnek
Chemical Library Space: Definition and DNA-Encoded Library Comparison Study Case. Journal of chemical information and modeling (2023)
William Bort, Daniyar Mazitov, Dragos Horvath, Fanny Bonachera, Arkadii Lin, Gilles Marcou, Igor Baskin, Timur I Madzhidov, Alexander Varnek
Inverse QSAR: Reversing Descriptor-Driven Prediction Pipeline Using Attention-Based Conditional Variational Autoencoder. Journal of chemical information and modeling 62 (22) (2022)
Yuliana Zabolotna, Fanny Bonachera, Dragos Horvath, Arkadii Lin, Gilles Marcou, Olga Klimchuk, Alexander Varnek
Chemspace Atlas: Multiscale Chemography of Ultralarge Libraries for Drug Discovery. Journal of chemical information and modeling 62 (18) (2022)
Alexey V Rayevsky, Andrii S Poturai, Iryna O Kravets, Alexander E Pashenko, Tatiana A Borisova, Ganna M Tolstanova, Dmitriy M Volochnyuk, Petro O Borysko, Olga B Vadzyuk, Diana O Alieksieieva, Yuliana Zabolotna, Olga Klimchuk, Dragos Horvath, Gilles Marcou, Sergey V Ryabukhin, Alexander Varnek
In Vitro Evaluation of In Silico Screening Approaches in Search for Selective ACE2 Binding Chemical Probes. Molecules (Basel, Switzerland) 27 (17) (2022)
Iuri Casciuc, Artem Osypenko, Bohdan Kozibroda, Dragos Horvath, Gilles Marcou, Fanny Bonachera, Alexander Varnek, Jean-Marie Lehn
Toward in Silico Modeling of Dynamic Combinatorial Libraries. ACS central science 8 (6) (2022)
Alexey A Orlov, Daryna Yu Demenko, Charles Bignaud, Alain Valtz, Gilles Marcou, Dragos Horvath, Christophe Coquelet, Alexander Varnek, Frédérick de Meyer
Chemoinformatics-Driven Design of New Physical Solvents for Selective CO2 Absorption. Environmental science & technology 55 (22) (2021)
Yuliana Zabolotna, Dmitriy M Volochnyuk, Sergey V Ryabukhin, Dragos Horvath, Konstantin S Gavrilenko, Gilles Marcou, Yurii S Moroz, Oleksandr Oksiuta, Alexander Varnek
A Close-up Look at the Chemical Space of Commercially Available Building Blocks for Medicinal Chemistry. Journal of chemical information and modeling 62 (9) (2021)
Yuliana Zabolotna, Dmitriy M Volochnyuk, Sergey V Ryabukhin, Kostiantyn Gavrylenko, Dragos Horvath, Olga Klimchuk, Oleksandr Oksiuta, Gilles Marcou, Alexander Varnek
SynthI: A New Open-Source Tool for Synthon-Based Library Design. Journal of chemical information and modeling (2021)
Dragos Horvath, Alexey Orlov, Dmitry I Osolodkin, Aydar A Ishmukhametov, Gilles Marcou, Alexandre Varnek
A Chemographic Audit of anti-Coronavirus Structure-activity Information from Public Databases (ChEMBL). Molecular informatics 39 (12) (2020)
Yuliana Zabolotna, Arkadii Lin, Dragos Horvath, Gilles Marcou, Dmitriy M Volochnyuk, Alexander Varnek
Chemography: Searching for Hidden Treasures. Journal of chemical information and modeling 61 (1) (2020)
Dragos Horvath, Gilles Marcou, Alexander Varnek
Trustworthiness, the Key to Grid-Based Map-Driven Predictive Model Enhancement and Applicability Domain Control. Journal of chemical information and modeling 60 (12) (2020)
Igor I Baskin, S Lozano, M Durot, Gilles Marcou, Dragos Horvath, Alexander Varnek
Autoignition temperature: comprehensive data analysis and predictive models. SAR and QSAR in environmental research 31 (8) (2020)
Dragos Horvath, Gilles Marcou, Alexander Varnek
"Big Data" Fast Chemoinformatics Model to Predict Generalized Born Radius and Solvent Accessibility as a Function of Geometry. Journal of chemical information and modeling 60 (6) (2020)
Laurent Hoffer, Magali Saez-Ayala, Dragos Horvath, Alexander Varnek, Xavier Morelli, Philippe Roche
CovaDOTS: In Silico Chemistry-Driven Tool to Design Covalent Inhibitors Using a Linking Strategy. Journal of chemical information and modeling 59 (4) (2019)
Boris Sattarov, Igor I Baskin, Dragos Horvath, Gilles Marcou, Esben Jannik Bjerrum, Alexander Varnek
De Novo Molecular Design by Combining Deep Autoencoder Recurrent Neural Networks with Generative Topographic Mapping. Journal of chemical information and modeling 59 (3) (2019)
F Lunghini, Gilles Marcou, Philippe Gantzer, P Azam, Dragos Horvath, E Van Miert, Alexander Varnek
Modelling of ready biodegradability based on combined public and industrial data sources. SAR and QSAR in environmental research 31 (3) (2019)
F Lunghini, Gilles Marcou, P Azam, Dragos Horvath, R Patoux, E Van Miert, A Varnek
Consensus models to predict oral rat acute toxicity and validation on a dataset coming from the industrial context. SAR and QSAR in environmental research 30 (12) (2019)
Laurent Hoffer, Yuliia V Voitovich, Brigitt Raux, Kendall Carrasco, Christophe Muller, Aleksey Y Fedorov, Carine Derviaux, Agnès Amouric, Stéphane Betzi, Dragos Horvath, Alexander Varnek, Yves Collette, Sébastien Combes, Philippe Roche, Xavier Morelli
Integrated Strategy for Lead Optimization Based on Fragment Growing: The Diversity-Oriented-Target-Focused-Synthesis Approach. Journal of medicinal chemistry 61 (13) (2018)
Arkadii Lin, Dragos Horvath, Valentina Afonina, Gilles Marcou, Jean-Louis Reymond, Alexander Varnek
Mapping of the Available Chemical Space versus the Chemical Universe of Lead-Like Compounds. ChemMedChem 13 (6) (2018)
Michael Zhenin, Malkeet Singh Bahia, Gilles Marcou, Alexandre Varnek, Hanoch Senderowitz, Dragos Horvath
Rescoring of docking poses under Occam's Razor: are there simpler solutions? Journal of computer-aided molecular design 32 (9) (2018)
Iuri Casciuc, Yuliana Zabolotna, Dragos Horvath, Gilles Marcou, Jürgen Bajorath, Alexander Varnek
Virtual Screening with Generative Topographic Maps: How Many Maps Are Required? Journal of chemical information and modeling 59 (1) (2018)
Emmanuelle Soleilhac, Loraine Brillet-Guéguen, Véronique Roussel, Renaud Prudent, Bastien Touquet, Sheena Dass, Samia Aci-Sèche, Vinod Kasam, Caroline Barette, Anne Imberty, Vincent Breton, Marylin Vantard, Dragos Horvath, Cyrille Y Botté, Isabelle Tardieux, Sylvaine Roy, Eric Maréchal, Laurence Lafanechère
Specific Targeting of Plant and Apicomplexa Parasite Tubulin through Differential Screening Using In Silico and Assay-Based Approaches. International journal of molecular sciences 19 (10) (2018)
Shilva Kayastha, Dragos Horvath, Erik Gilberg, Michael Gütschow, Jürgen Bajorath, Alexander Varnek
Privileged Structural Motif Detection and Analysis Using Generative Topographic Maps. Journal of chemical information and modeling 57 (5) (2017)
Dragos Horvath, Gilles Marcou, Alexandre Varnek
Monitoring of the Conformational Space of Dipeptides by Generative Topographic Mapping. Molecular informatics 37 (1-2) (2017)