Dragos Horvath

According to our database1, Dragos Horvath authored at least 39 papers between 1995 and 2019.

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Bibliography

2019
Multi-task generative topographic mapping in virtual screening.
Journal of Computer-Aided Molecular Design, 2019

2018
Rescoring of docking poses under Occam's Razor: are there simpler solutions?
Journal of Computer-Aided Molecular Design, 2018

2017
Privileged Structural Motif Detection and Analysis Using Generative Topographic Maps.
Journal of Chemical Information and Modeling, 2017

QSAR modeling and chemical space analysis of antimalarial compounds.
Journal of Computer-Aided Molecular Design, 2017

From bird's eye views to molecular communities: two-layered visualization of structure-activity relationships in large compound data sets.
Journal of Computer-Aided Molecular Design, 2017

2016
Kernel Target Alignment Parameter: A New Modelability Measure for Regression Tasks.
Journal of Chemical Information and Modeling, 2016

Chemical Space Mapping and Structure-Activity Analysis of the ChEMBL Antiviral Compound Set.
Journal of Chemical Information and Modeling, 2016

Prediction of Activity Cliffs Using Condensed Graphs of Reaction Representations, Descriptor Recombination, Support Vector Machine Classification, and Support Vector Regression.
Journal of Chemical Information and Modeling, 2016

2015
Expert System for Predicting Reaction Conditions: The Michael Reaction Case.
Journal of Chemical Information and Modeling, 2015

Stargate GTM: Bridging Descriptor and Activity Spaces.
Journal of Chemical Information and Modeling, 2015

Chemical Data Visualization and Analysis with Incremental Generative Topographic Mapping: Big Data Challenge.
Journal of Chemical Information and Modeling, 2015

Mappability of drug-like space: towards a polypharmacologically competent map of drug-relevant compounds.
Journal of Computer-Aided Molecular Design, 2015

2014
Computational chemogenomics: Is it more than inductive transfer?
Journal of Computer-Aided Molecular Design, 2014

2013
Do Not Hesitate to Use Tversky - and Other Hints for Successful Active Analogue Searches with Feature Count Descriptors.
Journal of Chemical Information and Modeling, 2013

In Silico Fragment-Based Drug Discovery: Setup and Validation of a Fragment-to-Lead Computational Protocol Using S4MPLE.
Journal of Chemical Information and Modeling, 2013

S4MPLE - Sampler For Multiple Protein-Ligand Entities: Simultaneous Docking of Several Entities.
Journal of Chemical Information and Modeling, 2013

Generative Topographic Mapping-Based Classification Models and Their Applicability Domain: Application to the Biopharmaceutics Drug Disposition Classification System (BDDCS).
Journal of Chemical Information and Modeling, 2013

2012
Models for Identification of Erroneous Atom-to-Atom Mapping of Reactions Performed by Automated Algorithms.
Journal of Chemical Information and Modeling, 2012

Mining Chemical Reactions Using Neighborhood Behavior and Condensed Graphs of Reactions Approaches.
Journal of Chemical Information and Modeling, 2012

2011
Local neighborhood behavior in a combinatorial library context.
Journal of Computer-Aided Molecular Design, 2011

Hill-Climbing search and diversification within an evolutionary approach to protein structure prediction.
BioData Mining, 2011

2010
Single- and Multi-Objective Cooperation for the Flexible Docking Problem.
J. Math. Model. Algorithms, 2010

Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set.
Journal of Chemical Information and Modeling, 2010

A unified approach to the applicability domain problem of QSAR models.
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.
Journal of Chemical Information and Modeling, 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.
Journal of Chemical Information and Modeling, 2008

Parallel multi-objective algorithms for the molecular docking problem.
Proceedings of the 2008 IEEE Symposium on Computational Intelligence in Bioinformatics and Computational Biology, 2008

2007
Optimized Evolutionary Strategies in Conformational Sampling.
Soft Comput., 2007

Stochastic versus Stepwise Strategies for Quantitative Structure-Activity Relationship GenerationHow Much Effort May the Mining for Successful QSAR Models Take?
Journal of Chemical Information and Modeling, 2007

A parallel hybrid genetic algorithm for protein structure prediction on the computational grid.
Future Generation Comp. Syst., 2007

Grid-based evolutionary strategies applied to the conformational sampling problem.
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.
Journal of Chemical Information and Modeling, 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.
Journal of Chemical Information and Computer Sciences, 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.
Journal of Chemical Information and Computer Sciences, 2003

1999
Reactivity Prediction Models Applied to the Selection of Novel Candidate Building Blocks for High-Throughput Organic Synthesis of Combinatorial Libraries.
Journal of Chemical Information and Computer Sciences, 1999

1995
Molecular Topology, 15. 3D Distance Matrixes and Related Topological Indices.
Journal of Chemical Information and Computer Sciences, 1995


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