Literature DB >> 29936244

Neural network and deep-learning algorithms used in QSAR studies: merits and drawbacks.

Fahimeh Ghasemi1, Alireza Mehridehnavi2, Alfonso Pérez-Garrido3, Horacio Pérez-Sánchez4.   

Abstract

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Year:  2018        PMID： 29936244     DOI： 10.1016/j.drudis.2018.06.016

Source DB:  PubMed          Journal:  Drug Discov Today        ISSN： 1359-6446            Impact factor:   7.851


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  26 in total

1.  Targeting SARS-CoV-2 endoribonuclease: a structure-based virtual screening supported by in vitro analysis.

Authors:  Ibrahim M Ibrahim; Abdo A Elfiky; Mohamed M Fathy; Sara H Mahmoud; Mahmoud ElHefnawi
Journal:  Sci Rep       Date:  2022-08-03       Impact factor: 4.996

Review 2.  Protein Function Analysis through Machine Learning.

Authors:  Chris Avery; John Patterson; Tyler Grear; Theodore Frater; Donald J Jacobs
Journal:  Biomolecules       Date:  2022-09-06

3.  Trade-off Predictivity and Explainability for Machine-Learning Powered Predictive Toxicology: An in-Depth Investigation with Tox21 Data Sets.

Authors:  Leihong Wu; Ruili Huang; Igor V Tetko; Zhonghua Xia; Joshua Xu; Weida Tong
Journal:  Chem Res Toxicol       Date:  2021-01-29       Impact factor: 3.739

4.  Targeting SARS-CoV-2 Spike Protein/ACE2 Protein-Protein Interactions: a Computational Study.

Authors:  Davide Pirolli; Benedetta Righino; Maria Cristina De Rosa
Journal:  Mol Inform       Date:  2021-04-27       Impact factor: 3.353

5.  A Strategy for the Effective Optimization of Pharmaceutical Formulations Based on Parameter-Optimized Support Vector Machine Model.

Authors:  Siqi Wang; Jianping Yang; Hengwei Chen; Kexin Chu; Xuefei Yu; Yaqiong Wei; Haixia Zhang; Mengjie Rui; Chunlai Feng
Journal:  AAPS PharmSciTech       Date:  2022-01-31       Impact factor: 3.246

Review 6.  Artificial Intelligence and the Future of Diagnostic and Therapeutic Radiopharmaceutical Development:: In Silico Smart Molecular Design.

Authors:  Bahar Ataeinia; Pedram Heidari
Journal:  PET Clin       Date:  2021-08-05

Review 7.  Step-by-step design of proteins for small molecule interaction: A review on recent milestones.

Authors:  José M Pereira; Maria Vieira; Sérgio M Santos
Journal:  Protein Sci       Date:  2021-05-10       Impact factor: 6.993

8.  Classification models and SAR analysis on CysLT1 receptor antagonists using machine learning algorithms.

Authors:  Hongzhao Wang; Zijian Qin; Aixia Yan
Journal:  Mol Divers       Date:  2021-02-03       Impact factor: 3.364

9.  Ontological model of multi-agent Smart-system for predicting drug properties based on modified algorithms of artificial immune systems.

Authors:  Galina Samigulina; Zarina Samigulina
Journal:  Theor Biol Med Model       Date:  2020-07-20       Impact factor: 2.432

10.  Nanoscale slip length prediction with machine learning tools.

Authors:  Filippos Sofos; Theodoros E Karakasidis
Journal:  Sci Rep       Date:  2021-06-15       Impact factor: 4.379
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