Search Result "topological descriptors"


Review Article

Topological Modeling of Carbon Nano-lattices

Journal: Current Organic Chemistry
Volume: 21 Issue: 2 Year: 2017 Page: 2705-2718
Author(s): Bogdan Bumbacila,Ottorino Ori,Franco Cataldo,Mihai V. Putz

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

Research Article

Harmony Search as a Powerful Tool for Feature Selection in QSPR Study of the Drugs Lipophilicity

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 20 Issue: 4 Year: 2017 Page: 321-327
Author(s): Behnoosh Bahadori,Morteza Atabati

Research Article

Docking and QSAR Studies of Aryl-valproic Acid Derivatives to Identify Antiproliferative Agents Targeting the HDAC8

Journal: Anti-Cancer Agents in Medicinal Chemistry
Volume: 17 Issue: 7 Year: 2017 Page: 927-940
Author(s): Heidy Martínez-Pacheco,Guillermo Ramírez-Galicia,Midalia Vergara-Arias,Jurg Gertsch,Jonathan Manuel Fragoso-Vazquez,David Mendez-Luna,A. L. Abujamra,Cabrera-Perez Laura Cristina,Rosales-Hernandez Martha Cecilia,I Mendoza-Lujambio,Jose Correa-Basurto

Review Article

Quantitative Structure-Activity Relationship Studies: Understanding the Mechanism of Tyrosine Kinase Inhibition

Journal: Current Enzyme Inhibition
Volume: 13 Issue: 2 Year: 2017 Page: 139-159
Author(s): Vaishali M. Patil, Satya P Gupta, Neeraj Masand

Review Article

Quantum Information Measures and Their Use in Chemistry

Journal: Current Physical Chemistry
Volume: 7 Issue: 2 Year: 2017 Page: 94-117
Author(s): Roman F. Nalewajski

Research Article

Ester of Quinoxaline-7-carboxylate 1,4-di-N-oxide as Apoptosis Inductors in K-562 Cell Line: An in vitro, QSAR and DFT Study

Journal: Anti-Cancer Agents in Medicinal Chemistry
Volume: 17 Issue: 5 Year: 2017 Page: 682-691
Author(s): Gildardo Rivera,Sergio Andrade-Ochoa,Manolo S. Ortega Romero,Isidro Palos,Antonio Monge,Luvia Enid Sanchez-Torres

Research Article

Predicting Hepatotoxicity of Drug Metabolites Via an Ensemble Approach Based on Support Vector Machine

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 20 Issue: 1 Year: 2017 Page: 839-849
Author(s): Yin Lu,Lili Liu,Dong Lu,Yudong Cai,Mingyue Zheng,Xiaomin Luo,Hualiang Jiang,Kaixian Chen

Research Article

Long-Range Contacts in Unfolding of Two-State Proteins

Journal: Protein & Peptide Letters
Volume: 24 Issue: 3 Year: 2017 Page: 206-214
Author(s): Selvaraj Samuel,Harihar Balasubramanian

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