Search Result "SMILES"


Review Article

Several Species of Nucleophiles in the Smiles Rearrangement

Journal: Current Organic Chemistry
Volume: 21 Issue: 1 Year: 2017 Page: 1612-1625
Author(s): Ali Ramazani,Farzaneh Moradnia,Hamideh Aghahosseini,Ilnaz Abdolmaleki

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

Journal: Current Topics in Medicinal Chemistry
Volume: 15 Issue: 1 Year: 2015 Page: 1768-1779
Author(s): Aleksandar M. Veselinovic, Jovana B. Veselinovic, Jelena V. Zivkovic, Goran M. Nikolic

Research Article

DL-SMILES#: A Novel Encoding Scheme for Predicting Compound Protein Affinity Using Deep Learning

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 24 Issue: 0 Year: 2021 Page: 1-9
Author(s): Shudong Wang,Jiali Liu,Mao Ding,Yijun Gao,Dayan Liu,Qingyu Tian,Jinfu Zhu

Smiles Rearrangement in Synthetic Chemistry

Journal: Current Organic Synthesis
Volume: 10 Issue: 6 Year: 2013 Page: 935-946
Author(s): Shuai Xia, Li-Ying Wang, Hua Zuo, Zhu-Bo Li

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

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 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

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

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: 1 Year: 2015 Page: 1837-1844
Author(s): Andrey A. Toropov, Robert Rallo, Alla P. Toropova

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

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