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
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: 14 Year: 2020 Page: 1389-1402
Author(s): Maja Zivkovic,Marko Zlatanovic,Nevena Zlatanovic,Mladjan GoluboviÄ,Aleksandar M. VeselinoviÄ
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
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
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
Structure Based Drug Design for HIV Protease: From Molecular Modeling to Cheminformatics
Journal: Current Topics in Medicinal Chemistry
Volume: 7 Issue: 1 Year: 2007 Page: 1030-1038
Author(s): Patra Volarath, Robert W. Harrison, Irene T. Weber