Search Result "DUD"


Research Article

Enhancing Scoring Performance of Docking-Based Virtual Screening Through Machine Learning

Journal: Current Bioinformatics
Volume: 11 Issue: 4 Year: 2016 Page: 408-420
Author(s): Cândida G. Silva,Carlos J.V. Simoes,Pedro Carreiras,Rui M.M. Brito

Research Article open access plus

Learning the Edit Costs of Graph Edit Distance Applied to Ligand-Based Virtual Screening

Journal: Current Topics in Medicinal Chemistry
Volume: 20 Issue: 18 Year: 2020 Page: 1582-1592
Author(s): Carlos Garcia-Hernandez,Alberto Fernández,Francesc Serratosa

Research Article

Integrated Application of Enhanced Replacement Method and Ensemble Learning for the Prediction of BCRP/ABCG2 Substrates

Journal: Current Bioinformatics
Volume: 12 Issue: 3 Year: 2017 Page: 239-248
Author(s): Melisa E. Gantner,Lucas N. Alberca,Andrew G. Mercader,Luis E. Bruno-Blanch,Alan Talevia

Research Article

Fusing Docking Scoring Functions Improves the Virtual Screening Performance for Discovering Parkinson's Disease Dual Target Ligands

Journal: Current Neuropharmacology
Volume: 15 Issue: 8 Year: 2017 Page: 1107-1116
Author(s): Yunierkis Perez-Castillo,Aliuska Morales Helguera,M.Natalia D. S. Cordeiro,Eduardo Tejera,Cesar Paz-y-Mino,Aminael Sanchez-Rodriguez,Fernanda Borges,Maykel Cruz-Monteagudo

Approaches to Virtual Screening and Screening Library Selection

Journal: Current Pharmaceutical Design
Volume: 19 Issue: 26 Year: 2013 Page: 4787-4796
Author(s): Scott A. Wildman

Research Article

The Natural Protoalkaloid Methyl-2-Amino-3-Methoxybenzoate (MAM)Alleviates Positive as well as Cognitive Symptoms in Rat and MouseSchizophrenia Models

Journal: Current Neuropharmacology
Volume: 22 Issue: 2 Year: 2024 Page: 323-338
Author(s): Dorien A. Maas,Michel M.M. Verheij,Maria S. Paladini,Helene I.V. Amatdjais-Groenen,Marco A. Riva,Gerard J.M. Martens,Judith R. Homberg

Improvement of Virtual Screening Predictions using Computational Intelligence Methods

Journal: Letters in Drug Design & Discovery
Volume: 11 Issue: 1 Year: 2014 Page: 33-39
Author(s): Gaspar Cano,José García-Rodríguez,Horacio Pérez-Sánchez

Prediction of Bioactive Compounds Using Computed NMR Chemical Shifts

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 18 Issue: 6 Year: 2015 Page: 562-576
Author(s): Muthukumarasamy Karthikeyan,Pattuparambil Ramanpillai Rajamohanan,Renu Vyas

Processing of Small Molecule Databases for Automated Docking

Journal: Medicinal Chemistry
Volume: 3 Issue: 1 Year: 2007 Page: 107-113
Author(s): Maxwell D. Cummings, Alan C. Maxwell, Renee L. DesJarlais

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