Search Result "Chemical descriptors"


Research Article

Exploring the Chemical Space of P-Glycoprotein Interacting Compounds

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 17 Issue: 14 Year: 2017 Page: 1332-1345
Author(s): Veda Prachayasittikul,Prasit Mandi,Supaluk Prachayasittikul,Virapong Prachayasittikul,Chanin Nantasenamat

Review Article

Evaluation of the Protonation Energy of Molecules using Conceptual Density Functional Theoretical Reactivity Descriptors

Journal: Current Physical Chemistry
Volume: 7 Issue: 2 Year: 2017 Page: 126-132
Author(s): Sandip K. Rajak,Nazmul Islam,Dulal C. Ghosh

Review Article

Chemical Classification of Cyclic Depsipeptides

Journal: Current Protein & Peptide Science
Volume: 18 Issue: 5 Year: 2017 Page: 425-452
Author(s): Lien Taevernier, Evelien Wynendaele, Bert Gevaert, Bart De Spiegeleer

Research Article

In Silico Prediction of Chemical Toxicity Profile Using Local Lazy Learning

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 20 Issue: 4 Year: 2017 Page: 346-353
Author(s): Jing Lu,Pin Zhang,Xiao-Wen Zou,Xiao-Qiang Zhao,Ke-Guang Cheng,Yi-Lei Zhao,Yi Bi,Ming-Yue Zheng,Xiao-Min Luo

Review Article

CORAL Software: Analysis of Impacts of Pharmaceutical Agents Upon Metabolism via the Optimal Descriptors

Journal: Current Drug Metabolism
Volume: 18 Issue: 6 Year: 2017 Page: 500-510
Author(s): Mariya A. Toropova,Ivan Raska Jr,Alla P. Toporova,Maria Raskova

Editorial free to download

Editorial: The Expanding Landscape of Graph Theoretic Molecular Descriptors: Development, Gradual Diversification of Descriptor Space, and Applications in QSAR/ QMSA and New Drug Discovery

Journal: Current Computer-Aided Drug Design
Volume: 13 Issue: 3 Year: 2017 Page: 172-176
Author(s): Subhash C. Basak

Editorial free to download

Editorial: Descriptor Spaces for QSAR: Delving into the History of the Expanding Frontier

Journal: Current Computer-Aided Drug Design
Volume: 13 Issue: 1 Year: 2017 Page: 4-7
Author(s): Subhash C. Basak, Rama K. Mishra

Information-Theoretic Representation of the Chemical Space of Many Electron Systems

Ebook: Frontiers in Computational Chemistry

Volume: 3 Year: 2017
Author(s): R.O. Esquivel,S. López-Rosa,M. Molina-Espíritu,C. Soriano-Correa,J.C. Angulo,J.S. Dehesa
Doi: 10.2174/9781681081670117030007
Review Article

Prediction of Chemical Multi-target Profiles and Adverse Outcomes with Systems Toxicology

Journal: Current Medicinal Chemistry
Volume: 24 Issue: 16 Year: 2017 Page: 1705-1720
Author(s): Henri Wathieu,Abiola Ojo,Sivanesan Dakshanamurthy

Research Article

Common SAR Derived from Linear and Non-linear QSAR Studies on AChE Inhibitors used in the Treatment of Alzheimer's Disease

Journal: Current Neuropharmacology
Volume: 15 Issue: 8 Year: 2017 Page: 1093-1099
Author(s): Babitha Pallikkara Pulikkal,Sahila Mohammed Marunnan,Srinivas Bandaru,Mukesh Yadav,Anuraj Nayarisseri,Sivanpillai Sureshkumar

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