Search Result "QSAR properties"


Review Article

An Analysis of QSAR Research Based on Machine Learning Concepts

Journal: Current Drug Discovery Technologies
Volume: 18 Issue: 1 Year: 2021 Page: 17-30
Author(s): Mohammad Reza Keyvanpour,Mehrnoush Barani Shirzad

Research Article

Interpretable SMILES-based QSAR Model of Inhibitory Activity of Sirtuins 1 and 2

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 24 Issue: 8 Year: 2021 Page: 1217-1228
Author(s): Apilak Worachartcheewan,Alla P. Toropova,Andrey A. Toropov,Reny Pratiwi,Virapong Prachayasittikul,Chanin Nantasenamat

Research Article

Improved 3D-QSAR Prediction by Multiple Conformational Alignments and Molecular Docking Studies to Design and Discover HIV-I Protease Inhibitors

Journal: Current HIV Research
Volume: 19 Issue: 2 Year: 2021 Page: 154-171
Author(s): Paresh K. Patel,Hardik G. Bhatt

Research Article

Discovery of Potent Natural-Product-Derived SIRT2 Inhibitors Using Structure- Based Exploration of SIRT2 Pharmacophoric Space Coupled With QSAR Analyses

Journal: Anti-Cancer Agents in Medicinal Chemistry
Volume: 21 Issue: 0 Year: 2021 Page: 1-9
Author(s): Mohammad A. Khanfar,Saja Alqtaishat

Review Article open access plus

Trends in Deep Learning for Property-driven Drug Design

Journal: Current Medicinal Chemistry
Volume: 28 Issue: 0 Year: 2021 Page: 1-25
Author(s): Jannis Born,Matteo Manica

Review Article

Machine Learning, Molecular Modeling, and QSAR Studies on Natural Products Against Alzheimer’s Disease

Journal: Current Medicinal Chemistry
Volume: 28 Issue: 0 Year: 2021 Page: 1-22
Author(s): Érika Paiva de Moura,Natan Dias Fernandes,Alex France Messias Monteiro,Herbert Igor Rodrigues de Medeiros,Marcus Tullius Scotti,Luciana Scotti

Research Article

In-silico Studies and Wet-Lab Validation of Camptothecin Derivatives for Anti-Cancer Activity Against Liver (HepG2) and Lung (A549) Cancer Cell Lines

Journal: Current Topics in Medicinal Chemistry
Volume: 21 Issue: 1 Year: 2021 Page: 908-919
Author(s): Komal Kalani,Dharmendra K. Yadav,Sarfaraz Alam,Feroz Khan,Mahendra P. Kashyap,Santosh K. Srivastava,Aditya B. Pant

Research Article

Quantitative Structure-Property Relationship Study for Prediction of BoilingPoint and Enthalpy of Vaporization of Alkenes

Journal: Current Computer-Aided Drug Design
Volume: 17 Issue: 6 Year: 2021 Page: 725-738
Author(s): Fatemeh Ghaemdoost,Fatemeh Shafiei

Research Article

A Combined Approach of Pharmacophore Modeling, QSAR Study, Molecular Docking and In silico ADME/Tox Prediction of 4-Arylthio & 4-Aryloxy-3- Iodopyridine-2(1H)-one Analogs to identify Potential Reverse Transcriptase Inhibitor: Anti-HIV Agents

Journal: Medicinal Chemistry
Volume: 17 Issue: 0 Year: 2021 Page: 1-37
Author(s): Debadash Panigrahi,Amiyakanta Mishra,Susanta Kumar Sahu,Mohd. Afzal Azam,C.M. Vyshaag

Review Article

Computer-aided Design of Coumarins for Neurodegenerative Diseases: Trends of the Last Decade

Journal: Current Topics in Medicinal Chemistry
Volume: 21 Issue: 0 Year: 2021 Page: 1-13
Author(s): Estela Guardado Yordi,Lourdes Santana,Eugenio Uriarte,Fernanda Borges,Maria J. Matos

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