Search Result "molecular descriptors"


Mini-Review Article

Molecular Descriptors and QSSR Models in Asymmetric Catalysis

Journal: Mini-Reviews in Organic Chemistry
Volume: 19 Issue: 8 Year: 2022 Page: 933-938
Author(s):

Review Article

Molecular Diversity Assessment using Chemotypes

Journal: Current Computer-Aided Drug Design
Volume: 18 Issue: 1 Year: 2022 Page: 1-8
Author(s): Hugo O. Villar,Raghav Mandayan,Mark R. Hansen

Research Article

Identification of Anticancer and Anti-inflammatory Drugs from Drugtarget Interaction Descriptors by Machine Learning

Journal: Letters in Drug Design & Discovery
Volume: 19 Issue: 0 Year: 2022 Page: 1-11
Author(s):

Research Article

Adsorption Properties and Quantum Molecular Descriptors of the AnticancerDrug Cytophosphane on the Armchair Single-Walled CarbonNanotubes: A DFT Study

Journal: Letters in Organic Chemistry
Volume: 19 Issue: 1 Year: 2022 Page: 1034-1034
Author(s):

Research Article

Exploration of Luteolin as Potential Anti-COVID-19 Agent: Molecular Docking, Molecular Dynamic Simulation, ADMET and DFT Analysis

Journal: Letters in Drug Design & Discovery
Volume: 19 Issue: 0 Year: 2022 Page: 1-16
Author(s): Waseem Ahmad Ansari,Tanveer Ahamad,Mohsin Ali Khan,Zaw Ali Khan,Mohammad Faheem Khan

Research Article

Computational Investigations of Coumarin Derivatives as CyclindependentKinase 9 Inhibitors Using 3D-QSAR, Molecular Docking andMolecular Dynamics Simulation

Journal: Current Computer-Aided Drug Design
Volume: 18 Issue: 5 Year: 2022 Page: 363-380
Author(s):

Research Article

Synthesis, Molecular Docking, and 2D-QSAR Modeling of Quinoxaline Derivatives as Potent Anticancer Agents against Triple-Negative Breast Cancer

Journal: Current Topics in Medicinal Chemistry
Volume: 22 Issue: 1 Year: 2022 Page: 855-867
Author(s): Arvind Singh Negi

Research Article

A Combined QSAR and Molecular Docking Approach for IdentifyingPyrimidine Derivatives as Penicillin Binding Protein Inhibitors

Journal: Letters in Drug Design & Discovery
Volume: 19 Issue: 1 Year: 2022 Page: 1121-1135
Author(s): Brij K. Sharma

Computer-Aided Molecular Design in Computational Chemistry

Ebook: Frontiers in Computational Chemistry

Volume: 6 Year: 2022
Author(s): Muhammad Adnan Iqbal
Doi: 10.2174/9789815036848122060003
General Research Article

Development of 2D, 3D-QSAR and Pharmacophore Modeling of Chalcones for the Inhibition of Monoamine Oxidase B

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 25 Issue: 0 Year: 2022 Page: 1-14
Author(s): Bijo Mathew,Chonny Herrera-Acevedo,Sanal Dev,T. M. Rangarajan,Mohamed Saheer Kuruniyan,Punnoth Poonkuzhi Naseef,Luciana Scotti,Marcus Tullius Scotti

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