Dragos Horvath

Overview

Best Publications

• CERAPP: Collaborative Estrogen Receptor Activity Prediction Project

  Kamel Mansouri;Ahmed Abdelaziz;Aleksandra Rybacka;Alessandra Roncaglioni

  381
  Citations

• Applicability domains for classification problems: Benchmarking of distance to models for Ames mutagenicity set.

  Iurii Sushko;Sergii Novotarskyi;Robert Körner;Anil Kumar Pandey

  294
  Citations

• ISIDA - Platform for Virtual Screening Based on Fragment and Pharmacophoric Descriptors

  Alexandre Varnek;Denis Fourches;Dragos Horvath;Olga Klimchuk

  255
  Citations

• CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity.

  Kamel Mansouri;Nicole Kleinstreuer;Ahmed M. Abdelaziz;Domenico Alberga

  200
  Citations

• De Novo Molecular Design by Combining Deep Autoencoder Recurrent Neural Networks with Generative Topographic Mapping

  Boris Sattarov;Igor I. Baskin;Dragos Horvath;Gilles Marcou

  162
  Citations

• ISIDA Property‐Labelled Fragment Descriptors

  Fiorella Ruggiu;Gilles Marcou;Alexandre Varnek;Dragos Horvath

  156
  Citations

• Generative Topographic Mapping (GTM): Universal Tool for Data Visualization, Structure-Activity Modeling and Dataset Comparison.

  N. Kireeva;I. I. Baskin;I. I. Baskin;H. A. Gaspar;D. Horvath

  154
  Citations

• Chemical data visualization and analysis with incremental generative topographic mapping: big data challenge.

  Héléna A. Gaspar;Igor I. Baskin;Igor I. Baskin;Igor I. Baskin;Gilles Marcou;Dragos Horvath

  106
  Citations

• Pharmacophore-based virtual screening.

  Dragos Horvath

  103
  Citations

• Predicting the Predictability: A Unified Approach to the Applicability Domain Problem of QSAR Models

  Unknown

  85
  Citations

• Expert System for Predicting Reaction Conditions: The Michael Reaction Case

  G. Marcou;J. Aires de Sousa;D. A. R. S. Latino;A. de Luca

  84
  Citations

• GTM-Based QSAR Models and Their Applicability Domains.

  H. A. Gaspar;I. I. Baskin;I. I. Baskin;I. I. Baskin;G. Marcou;D. Horvath

  80
  Citations

• Discovery of novel chemical reactions by deep generative recurrent neural network

  William Bort;Igor I. Baskin;Igor I. Baskin;Igor I. Baskin;Timur Gimadiev;Artem Mukanov

  78
  Citations

• Generative topographic mapping-based classification models and their applicability domain: application to the biopharmaceutics Drug Disposition Classification System (BDDCS).

  Héléna A. Gaspar;Gilles Marcou;Dragos Horvath;Alban Arault

  73
  Citations

• An Evolutionary Optimizer of libsvm Models

  Dragos Horvath;J. B. Brown;Gilles Marcou;Alexandre Varnek

  72
  Citations

• Computational screening methodology identifies effective solvents for CO2 capture

  Unknown

  72
  Citations

• A parallel hybrid genetic algorithm for protein structure prediction on the computational grid

  A. A. Tantar;N. Melab;E. G. Talbi;B. Parent

  71
  Citations

• Prediction of the Glass-Transition Temperatures of Linear Homo/Heteropolymers and Cross-Linked Epoxy Resins

  Chisa Higuchi;Chisa Higuchi;Dragos Horvath;Gilles Marcou;Kazunari Yoshizawa

  44
  Citations

• Interpretability of SAR/QSAR Models of any Complexity by Atomic Contributions.

  Gilles Marcou;Dragos Horvath;V. Solov'ev;A. Arrault

  41
  Citations

• Electrochemical properties of substituted 2-methyl-1,4-naphthoquinones: redox behavior predictions.

  Mourad Elhabiri;Pavel Sidorov;Pavel Sidorov;Elena Cesar‐Rodo;Gilles Marcou

  40
  Citations

• Mapping of the Available Chemical Space versus the Chemical Universe of Lead-Like Compounds.

  Arkadii Lin;Dragos Horvath;Valentina Afonina;Valentina Afonina;Gilles Marcou

  38
  Citations

• S4MPLE—Sampler for Multiple Protein-Ligand Entities: Methodology and Rigid-Site Docking Benchmarking

  Laurent Hoffer;Camelia Chira;Gilles Marcou;Alexandre Varnek

  28
  Citations

• Mining chemical reactions using neighborhood behavior and condensed graphs of reactions approaches.

  Aurélie de Luca;Dragos Horvath;Gilles Marcou;Vitaly P. Solov'ev;Vitaly P. Solov'ev

  28
  Citations

• Predictive Models for Kinetic Parameters of Cycloaddition Reactions

  Marta Glavatskikh;Marta Glavatskikh;Timur Madzhidov;Dragos Horvath;Ramil Nugmanov

  26
  Citations

• Prediction of Activity Cliffs Using Condensed Graphs of Reaction Representations, Descriptor Recombination, Support Vector Machine Classification, and Support Vector Regression.

  Dragos Horvath;Gilles Marcou;Alexandre Varnek;Shilva Kayastha;Shilva Kayastha

  26
  Citations

• Generative topographic mapping in drug design.

  Dragos Horvath;Gilles Marcou;Alexandre Varnek

  25
  Citations

• Models for Identification of Erroneous Atom-to-Atom Mapping of Reactions Performed by Automated Algorithms

  Christophe Muller;Gilles Marcou;Dragos Horvath;João Aires-de-Sousa

  22
  Citations

• Chemoinformatics-Driven Design of New Physical Solvents for Selective CO2 Absorption.

  Alexey A. Orlov;Daryna Yu. Demenko;Charles Bignaud;Alain Valtz

  22
  Citations

• Chemography: Searching for Hidden Treasures.

  Yuliana Zabolotna;Arkadii I. Lin;Dragos Horvath;Gilles Marcou

  19
  Citations

• Using self-organizing maps to accelerate similarity search

  Fanny Bonachera;Gilles Marcou;Natalia Kireeva;Alexandre Varnek

  19
  Citations