Search Result "moleculardescriptor properties."


Research Article

Quantitative Structure- Property Relationship (QSPR) Investigation of Camptothecin Drugs Derivatives

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 21 Issue: 7 Year: 2018 Page: 533-542
Author(s): Neda Ahmadinejad,Fatemeh Shafiei,Tahereh Momeni Isfahani

Research Article

QSPR Models for the Prediction of Some Thermodynamic Properties of Cycloalkanes Using GA-MLR Method

Journal: Current Computer-Aided Drug Design
Volume: 16 Issue: 5 Year: 2020 Page: 571-582
Author(s): Daryoush Joudaki,Fatemeh Shafiei

Prediction of Compounds with Specific Pharmacodynamic, Pharmacokinetic or Toxicological Property by Statistical Learning Methods

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 6 Issue: 4 Year: 2006 Page: 449-459
Author(s): C. W. Yap, Y. Xue, H. Li, Z. R. Li, C. Y. Ung, L. Y. Han, C. J. Zheng, Z. W. Cao, Y. Z. Chen

Discrimination of Small Molecules Using Topological Molecular Descriptors

Ebook: Advances in Mathematical Chemistry and Applications
Volume: 2 Year: 2015
Author(s): Chandan Raychaudhury,Debnath Pal
Doi: 10.2174/9781681080529115020007

Chemical Graphs, Molecular Matrices and Topological Indices in Chemoinformatics and Quantitative Structure-Activity Relationships§

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 2 Year: 2013 Page: 153-163
Author(s): Ovidiu Ivanciuc

Structural Similarity and Descriptor Spaces for Clustering and Development of QSAR Models§

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 2 Year: 2013 Page: 254-271
Author(s): Irene Luque Ruiz,Gonzalo Cerruela Garcia,Miguel Angel Gomez-Nieto

Research Article

Screening of Drug Efficacy of Rosmarinic Acid Derivatives as Aurora Kinase Inhibitors by Computer-Aided Drug Design Method

Journal: Current Computer-Aided Drug Design
Volume: 17 Issue: 5 Year: 2021 Page: 627-646
Author(s): Kaushik Sarkar,Subhajit Sarkar,Rajesh Kumar Das

Discrimination of Active and Weakly Active Human BACE1 Inhibitors Using Self-Organizing Map and Support Vector Machine

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 19 Issue: 6 Year: 2016 Page: 470-480
Author(s): Hang Li,Maolin Wang,Ya-Nan Gong,Aixia Yan

Review Article

VSPrep: A KNIME Workflow for the Preparation of Molecular Databases for Virtual Screening

Journal: Current Medicinal Chemistry
Volume: 27 Issue: 38 Year: 2020 Page: 6480-6494
Author(s): José-Manuel Gally,Stéphane Bourg,Jade Fogha,Quoc-Tuan Do,Samia Aci-Sèche,Pascal Bonnet

Research Article

On Graph theoretic index of Complementary Benzenoids And Macromolecules

Journal: Current Signal Transduction Therapy
Volume: 15 Issue: 3 Year: 2020 Page: 258-263
Author(s): Jaishankar Senbagamalar

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