Search Result "molecularmodeling descriptors."
Evaluation of the Pharmacological Descriptors Related to the Induction of Antidepressant Activity and its Prediction by QSAR/QRAR Methods
Journal: Mini-Reviews in Medicinal Chemistry
Volume: 12 Issue: 6 Year: 2012 Page: 467-476
Author(s): S. Avram,C. Buiu,D. Duda-Seiman,C. Duda-Seiman,F. Borcan,D. Mihailescu
Studies on the IC50 of Metabolically Stable 1-(3,3-diphenylpropyl)- piperidinyl Amides and Ureas as Human CCR5 Receptor Antagonists Based on QSAR
Journal: Letters in Drug Design & Discovery
Volume: 17 Issue: 8 Year: 2020 Page: 1036-1046
Author(s): Yutao Zhao,Xiaoqian Liu,Jing Ouyang,Yan Wang,Shanyu Xu,Dongdong Tian,Hongzong Si
Discovery of Anti-Malarial Agents Through Application of In Silico Studies
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 18 Issue: 2 Year: 2015 Page: 151-187
Author(s): Mahesh A. Barmade,Prashant R. Murumkar,Mayank Kumar Sharma,Kaushik P. Shingala,Rajani R. Giridhar,Mange Ram Yadav
Prediction of Acridinones’ Ability to Interstrand DNA Crosslinks Formation Using Connected QSRR and QSAR Analysis
Journal: Letters in Drug Design & Discovery
Volume: 13 Issue: 5 Year: 2016 Page: 387-394
Author(s): Paulina Szatkowska-Wandas,Marcin Koba
A New Computational Approach to the Classification of Fluoroquinolones According to the Biopharmaceutical Classification System
Journal: Current Computer-Aided Drug Design
Volume: 13 Issue: 1 Year: 2017 Page: 60-74
Author(s): Klosinska-Szmurlo Ewa, Mazurek A. Pawel, Grudzien Monika, Betlejewska-Kielak Katarzyna
In-silico ADME Studies for New Drug Discovery: From Chemical Compounds to Chinese Herbal Medicines
Journal: Current Drug Metabolism
Volume: 18 Issue: 6 Year: 2017 Page: 535-539
Author(s): Guojun Yan,Xiaobing Wang,Zhou Chen,Xianhui Wu,Jinhuo Pan,Yushen Huang,Gang Wan,Zhaogang Yang
The Inhibitory Effects of Some Artificial Food Colorings on α-amylase andα-glucosidase: In vitro and In silico Studies
Journal: Current Enzyme Inhibition
Volume: 17 Issue: 3 Year: 2021 Page: 223-233
Author(s): Reguia Mahfoudi,Amar Djeridane,Djilali Tahri,Mohamed Yousfi
Synthesis of 5-amino-1-aryl-3-methyl-1H-pyrazole-4-carbonitriles, Antifungal Activity and In Silico Analysis
Journal: Letters in Organic Chemistry
Volume: 17 Issue: 10 Year: 2020 Page: 779-787
Author(s): Luciana Terra,Daiane de Jesus Viegas,Alice Maria Rolim Bernardino,Jéssica Venância Faria,Percilene Fazolin Vegi,Rômulo Gabriel De Miranda de Paula Pinto,MaurÃcio Silva dos Santos,Helena Carla Castro,Paula Alvarez Abreu
Prediction of the Affinity of the Newly Synthesised Azapirone Derivatives for 5-HT1A Receptors Based on Artificial Neural Network Analysis of Chromatographic Retention Data and Calculation Chemistry Parameters
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 7 Issue: 4 Year: 2004 Page: 313-325
Author(s): Antoni Nasal, Adam Bucinski, Tomasz Baczek, Anna Wojdelko
In Silico, Spectroscopic, and Biological Insights on Annelated Pyrrolo[3,2- e]Pyrimidines with Antiproliferative Activity
Journal: Letters in Drug Design & Discovery
Volume: 11 Issue: 1 Year: 2014 Page: 15-26
Author(s): Antonino Lauria,Alessio Terenzi,Carla Gentile,Annamaria Martorana,Giuseppe Gennaro,Giampaolo Barone,Anna Maria Almerico