Search Result "SMILES notation"


Application of SMILES Notation Based Optimal Descriptors in Drug Discovery and Design

Journal: Current Topics in Medicinal Chemistry
Volume: 15 Issue: 18 Year: 2015 Page: 1768-1779
Author(s): Aleksandar M. Veselinovic,Jovana B. Veselinovic,Jelena V. Zivkovic,Goran M. Nikolic

Use of Quasi-SMILES and Monte Carlo Optimization to Develop Quantitative Feature Property/Activity Relationships (QFPR/QFAR) for Nanomaterials

Journal: Current Topics in Medicinal Chemistry
Volume: 15 Issue: 18 Year: 2015 Page: 1837-1844
Author(s): Andrey A. Toropov,Robert Rallo,Alla P. Toropova

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

SMILES in QSPR/QSAR Modeling: Results and Perspectives

Journal: Current Drug Discovery Technologies
Volume: 4 Issue: 2 Year: 2007 Page: 77-116
Author(s): Andrey A. Toropov, Emilio Benfenati

Research Article

Quantitative Structure-activity Relationship Study of Betulinic Acid Derivatives Against HIV using SMILES-based Descriptors

Journal: Current Computer-Aided Drug Design
Volume: 14 Issue: 2 Year: 2018 Page: 152-159
Author(s): Apilak Worachartcheewan,Alla P. Toropova,Andrey A. Toropov,Suphakit Siriwong,Jatupat Prapojanasomboon,Virapong Prachayasittikul,Chanin Nantasenamat

SMILES-based QSAR Approaches for Carcinogenicity and Anticancer Activity: Comparison of Correlation Weights for Identical SMILES Attributes

Journal: Anti-Cancer Agents in Medicinal Chemistry
Volume: 11 Issue: 1 Year: 2011 Page: 974-982
Author(s): Andrey A. Toropov, Alla P. Toropova, Emilio Benfenati, Giuseppina Gini, Danuta Leszczynska, Jerzy Leszczynski

Review Article

The Application of the Combination of Monte Carlo Optimization Method based QSAR Modeling and Molecular Docking in Drug Design and Development

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 20 Issue: 1 Year: 2020 Page: 1389-1402
Author(s): Maja Zivkovic,Marko Zlatanovic,Nevena Zlatanovic,Mladjan Golubović,Aleksandar M. Veselinović

Review Article

CORAL: Monte Carlo Method to Predict Endpoints for Medical Chemistry

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 18 Issue: 5 Year: 2018 Page: 382-391
Author(s): Alla P. Toropova,Andrey A. Toropov

Calculation of Molecular Features with Apparent Impact on Both Activity of Mutagens and Activity of Anticancer Agents

Journal: Anti-Cancer Agents in Medicinal Chemistry
Volume: 12 Issue: 7 Year: 2012 Page: 807-817
Author(s): Andrey A. Toropov,Alla P. Toropova,Emilio Benfenati,Giuseppina Gini,Danuta Leszczynska,Jerzy Leszczynski

CORAL: Binary Classifications (Active/Inactive) for Liver-Related Adverse Effects of Drugs

Journal: Current Drug Safety
Volume: 7 Issue: 4 Year: 2012 Page: 257-261
Author(s): Andrey A. Toropov,Alla P. Toropova,Bakhtiyor F. Rasulev,Emilio Benfenati,Giuseppina Gini,Danuta Leszczynska,Jerzy Leszczynski

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