Search Result "molecular descriptors and metabolism."


Prediction of Metabolism of Drugs using Artificial Intelligence: How far have we reached?

Journal: Current Drug Metabolism
Volume: 17 Issue: 2 Year: 2016 Page: 129-141
Author(s): Rajnish Kumar, Anju Sharma, Mohammed Haris Siddiqui, Rajesh Kumar Tiwari

In Silico Study of Chromatographic Lipophilicity Parameters of 3-(4-Substituted Benzyl)-5-Phenylhydantoins

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 19 Issue: 6 Year: 2016 Page: 437-443
Author(s): Tatjana Djakovic Sekulic,Svetlana Keleman,Kristina Tot,Jadranka Tot,Nemanja Trisovic,Gordana Uscumlic

Review Article

Molecular Docking for Identification of Potential Targets for Drug Repurposing

Journal: Current Topics in Medicinal Chemistry
Volume: 16 Issue: 3 Year: 2016 Page: 3636-3645
Author(s): Heng Luo, William Mattes, Donna L Mendrick, Huixiao Hong

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

Research Article

Imidazole-based Derivatives as Potential Anti-platelet Inhibitors: DFT and Molecular Docking Study

Journal: Letters in Drug Design & Discovery
Volume: 13 Issue: 9 Year: 2016 Page: 888-896
Author(s): Mehbub I. K. Momin, Neil A. Koorbanally, Bahareh Honarparvar

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

TiO2-SO42- Catalyzed Synthesis and Antimicrobial Activity / Molecular Docking Studies of β-Indolylnitroalkanes

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 19 Issue: 4 Year: 2016 Page: 290-297
Author(s): Sarva Santhisudha,Soora Harinath Jayaprakash,Gundluru Mohan,Yellapu Nanda Kumar,Vaithiyanathan Suganthi,Vaithiyalingam Mohanasrinivasan,Cirandur Suresh Reddy

Research Article

Improved Prediction of Michaelis Constants in CYP450-Mediated Reactions by Resilient Back Propagation Algorithm

Journal: Current Drug Metabolism
Volume: 17 Issue: 7 Year: 2016 Page: 673-680
Author(s): Hao Dai,Qin Xu,Yi Xiong,Wei-Lin Liu,Dong-Qing Wei

Research Article

Design, Synthesis and Molecular Docking Studies of 2-Aryl/Heteroaryl-Ethyl 6-Chloroquinoline-4-Carboxylates as Potential Antimalarial Agents

Journal: Letters in Drug Design & Discovery
Volume: 13 Issue: 9 Year: 2016 Page: 982-991
Author(s): Thamatakallu O. S. Kumar, Kittappa M. Mahadevan, Pasura S. Sujanganapathy, Manikyanahally N. Kumara

Antipsychotics as Psychosis Drugs and Neuroprotective Promoters Evaluated by Chemical QSAR - in silico and in vivo Studies

Journal: Letters in Drug Design & Discovery
Volume: 13 Issue: 4 Year: 2016 Page: 269-275
Author(s): Maria Mernea,Livia-Cristina Borcan,Florin Borcan,Speranta Avram

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