Search Result "molecular descriptors"


QSAR of Chalcones Utilizing Theoretical Molecular Descriptors

Journal: Current Computer-Aided Drug Design
Volume: 11 Issue: 2 Year: 2015 Page: 184-193
Author(s): Sisir Nandi,Manish C. Bagchi

Prediction of Drug Induced Liver Injury Using Molecular and Biological Descriptors

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 18 Issue: 3 Year: 2015 Page: 315-322
Author(s): Christophe Muller,Dumrongsak Pekthong,Eliane Alexandre,Gilles Marcou,Dragos Horvath,Lysiane Richert,Alexandre Varnek

Application of SMILES Notation Based Optimal Descriptors in Drug Discovery and Design

Journal: Current Topics in Medicinal Chemistry
Volume: 15 Issue: 18 Year: 2015 Page: 1768-1779
Author(s): Aleksandar M. Veselinovic,Jovana B. Veselinovic,Jelena V. Zivkovic,Goran M. Nikolic

Optimum Search Strategies or Novel 3D Molecular Descriptors: is there a Stalemate?

Journal: Current Bioinformatics
Volume: 10 Issue: 5 Year: 2015 Page: 533-564
Author(s): Yovani Marrero-Ponce,César R. García-Jacas,Stephen J . Barigye,José R. Valdés-Martiní,Oscar Miguel Rivera-Borroto,Ricardo W. Pino-Urias,Néstor Cubillán,Ysaías J. Alvarado,Huong Le-Thi-Thu

Prediction of Mutagenicity of Chemicals from Their Calculated Molecular Descriptors: A Case Study with Structurally Homogeneous versus Diverse Datasets

Journal: Current Computer-Aided Drug Design
Volume: 11 Issue: 2 Year: 2015 Page: 117-123
Author(s): Subhash C. Basak,Subhabrata Majumdar

Edge-Wiener Descriptors in Chemical Graph Theory: A Survey

Journal: Current Organic Chemistry
Volume: 19 Issue: 3 Year: 2015 Page: 219-239
Author(s): Ali Iranmanesh, Mahdieh Azari

In Silico Based Prediction and Correlation of Dehalogenase Enzyme Activity of Some Haloalkane Compounds by Quantitative Structure Biodegradation Relationship (QSBR) Analysis

Journal: Current Environmental Engineering
Volume: 2 Issue: 2 Year: 2015 Page: 122-126
Author(s): Raghunath Satpathy,V Badireenath Konkimalla,Jagnyeswar Ratha

Bio-AIMS Collection of Chemoinformatics Web Tools based on Molecular Graph Information and Artificial Intelligence Models

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 18 Issue: 8 Year: 2015 Page: 735-750
Author(s): Cristian R. Munteanu,Humberto Gonzalez-Diaz,Rafael Garcia,Mabel Loza,Alejandro Pazos

On the Origins of Hepatitis C Virus NS5B Polymerase Inhibitory Activity Using Machine Learning Approaches

Journal: Current Topics in Medicinal Chemistry
Volume: 15 Issue: 18 Year: 2015 Page: 1814-1826
Author(s): Apilak Worachartcheewan,Veda Prachayasittikul,Nuttapat Anuwongcharoen,Watshara Shoombuatong,Virapong Prachayasittikul,Chanin Nantasenamat

The Monte Carlo Method Based on Eclectic Data as an Efficient Tool for Predictions of Endpoints for Nanomaterials - Two Examples of Application

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 18 Issue: 4 Year: 2015 Page: 376-386
Author(s): Andrey A. Toropov, Alla P. Toropova, Aleksandar M. Veselinovic, Jovana B. Veselinovic, Karel Nesmerak, Ivan Raska, Pablo R. Duchowicz, Eduardo A. Castro, Valentin O. Kudyshkin, Danuta Leszczynska, Jerzy Leszczynski

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