Dragos Horvath
Orcid: 0000-0003-0173-5714
According to our database1,
Dragos Horvath
authored at least 54 papers
between 1995 and 2023.
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Bibliography
2023
J. Chem. Inf. Model., September, 2023
GENERA: A Combined Genetic/Deep-Learning Algorithm for Multiobjective Target-Oriented De Novo Design.
J. Chem. Inf. Model., August, 2023
J. Chem. Inf. Model., July, 2023
2022
A Close-up Look at the Chemical Space of Commercially Available Building Blocks for Medicinal Chemistry.
J. Chem. Inf. Model., 2022
J. Chem. Inf. Model., 2022
J. Chem. Inf. Model., 2022
Inverse QSAR: Reversing Descriptor-Driven Prediction Pipeline Using Attention-Based Conditional Variational Autoencoder.
J. Chem. Inf. Model., 2022
Bioinform., 2022
2021
2020
Trustworthiness, the Key to Grid-Based Map-Driven Predictive Model Enhancement and Applicability Domain Control.
J. Chem. Inf. Model., 2020
"Big Data" Fast Chemoinformatics Model to Predict Generalized Born Radius and Solvent Accessibility as a Function of Geometry.
J. Chem. Inf. Model., 2020
J. Comput. Aided Mol. Des., 2020
2019
De Novo Molecular Design by Combining Deep Autoencoder Recurrent Neural Networks with Generative Topographic Mapping.
J. Chem. Inf. Model., 2019
CovaDOTS: In Silico Chemistry-Driven Tool to Design Covalent Inhibitors Using a Linking Strategy.
J. Chem. Inf. Model., 2019
J. Chem. Inf. Model., 2019
J. Comput. Aided Mol. Des., 2019
2018
J. Comput. Aided Mol. Des., 2018
2017
Privileged Structural Motif Detection and Analysis Using Generative Topographic Maps.
J. Chem. Inf. Model., 2017
J. Comput. Aided Mol. Des., 2017
From bird's eye views to molecular communities: two-layered visualization of structure-activity relationships in large compound data sets.
J. Comput. Aided Mol. Des., 2017
2016
J. Chem. Inf. Model., 2016
Chemical Space Mapping and Structure-Activity Analysis of the ChEMBL Antiviral Compound Set.
J. Chem. Inf. Model., 2016
Prediction of Activity Cliffs Using Condensed Graphs of Reaction Representations, Descriptor Recombination, Support Vector Machine Classification, and Support Vector Regression.
J. Chem. Inf. Model., 2016
2015
J. Chem. Inf. Model., 2015
Chemical Data Visualization and Analysis with Incremental Generative Topographic Mapping: Big Data Challenge.
J. Chem. Inf. Model., 2015
Mappability of drug-like space: towards a polypharmacologically competent map of drug-relevant compounds.
J. Comput. Aided Mol. Des., 2015
2014
J. Comput. Aided Mol. Des., 2014
2013
Do Not Hesitate to Use Tversky - and Other Hints for Successful Active Analogue Searches with Feature Count Descriptors.
J. Chem. Inf. Model., 2013
In Silico Fragment-Based Drug Discovery: Setup and Validation of a Fragment-to-Lead Computational Protocol Using S4MPLE.
J. Chem. Inf. Model., 2013
S4MPLE - Sampler For Multiple Protein-Ligand Entities: Simultaneous Docking of Several Entities.
J. Chem. Inf. Model., 2013
Generative Topographic Mapping-Based Classification Models and Their Applicability Domain: Application to the Biopharmaceutics Drug Disposition Classification System (BDDCS).
J. Chem. Inf. Model., 2013
2012
Models for Identification of Erroneous Atom-to-Atom Mapping of Reactions Performed by Automated Algorithms.
J. Chem. Inf. Model., 2012
Mining Chemical Reactions Using Neighborhood Behavior and Condensed Graphs of Reactions Approaches.
J. Chem. Inf. Model., 2012
2011
J. Comput. Aided Mol. Des., 2011
Hill-Climbing search and diversification within an evolutionary approach to protein structure prediction.
BioData Min., 2011
2010
J. Math. Model. Algorithms, 2010
Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set.
J. Chem. Inf. Model., 2010
J. Cheminformatics, 2010
An Evolutionary Model Based on Hill-Climbing Search Operators for Protein Structure Prediction.
Proceedings of the Evolutionary Computation, 2010
Simplified chain folding models as metaheuristic benchmark for tuning real protein folding algorithms?
Proceedings of the IEEE Congress on Evolutionary Computation, 2010
2009
Predicting the Predictability: A Unified Approach to the Applicability Domain Problem of QSAR Models.
J. Chem. Inf. Model., 2009
Local vs. global search strategies in evolutionary GRID-based conformational sampling & docking.
Proceedings of the IEEE Congress on Evolutionary Computation, 2009
2008
Fuzzy Tricentric Pharmacophore Fingerprints. 2. Application of Topological Fuzzy Pharmacophore Triplets in Quantitative Structure-Activity Relationships.
J. Chem. Inf. Model., 2008
Proceedings of the 2008 IEEE Symposium on Computational Intelligence in Bioinformatics and Computational Biology, 2008
2007
Stochastic versus Stepwise Strategies for Quantitative Structure-Activity Relationship GenerationHow Much Effort May the Mining for Successful QSAR Models Take?
J. Chem. Inf. Model., 2007
A parallel hybrid genetic algorithm for protein structure prediction on the computational grid.
Future Gener. Comput. Syst., 2007
Proceedings of the IEEE Congress on Evolutionary Computation, 2007
2006
Fuzzy Tricentric Pharmacophore Fingerprints, 1. Topological Fuzzy Pharmacophore Triplets and Adapted Molecular Similarity Scoring Schemes.
J. Chem. Inf. Model., 2006
2003
Neighborhood Behavior of in Silico Structural Spaces with Respect to In Vitro Activity Spaces-A Benchmark for Neighborhood Behavior Assessment of Different in Silico Similarity Metrics.
J. Chem. Inf. Comput. Sci., 2003
Neighborhood Behavior of in Silico Structural Spaces with Respect to in Vitro Activity Spaces-A Novel Understanding of the Molecular Similarity Principle in the Context of Multiple Receptor Binding Profiles.
J. Chem. Inf. Comput. Sci., 2003
1999
Reactivity Prediction Models Applied to the Selection of Novel Candidate Building Blocks for High-Throughput Organic Synthesis of Combinatorial Libraries.
J. Chem. Inf. Comput. Sci., 1999
1995
J. Chem. Inf. Comput. Sci., 1995