Search Result "Quasi-SMILES."
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 Monte Carlo Method Based on Eclectic Data as an Efficient Tool for Predictions of Endpoints for Nanomaterials - Two Examples of Application
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 18 Issue: 4 Year: 2015 Page: 376-386
Author(s): Andrey A. Toropov, Alla P. Toropova, Aleksandar M. Veselinovic, Jovana B. Veselinovic, Karel Nesmerak, Ivan Raska, Pablo R. Duchowicz, Eduardo A. Castro, Valentin O. Kudyshkin, Danuta Leszczynska, Jerzy Leszczynski
The Monte Carlo Method as a Tool to Build up Predictive QSPR/QSAR
Journal: Current Computer-Aided Drug Design
Volume: 16 Issue: 3 Year: 2020 Page: 197-206
Author(s): Andrey A. Toropov,Alla P. Toropova
Drug Metabolism as an Object of Computational Analysis by the Monte Carlo Method
Journal: Current Drug Metabolism
Volume: 18 Issue: 12 Year: 2017 Page: 1123-1131
Author(s): Mariya A. Toropova
Virtual Screening of Anti-Cancer Compounds: Application of Monte Carlo Technique
Journal: Anti-Cancer Agents in Medicinal Chemistry
Volume: 19 Issue: 2 Year: 2019 Page: 148-153
Author(s): Alla P. Toropova,Andrey A. Toropov,Emilio Benfenati,Danuta Leszczynska,Jerzy Leszczynski
The Utilization of the Monte Carlo Technique for Rational Drug Discovery
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 19 Issue: 8 Year: 2016 Page: 676-687
Author(s): Mariya A. Toropova,Ivan Raška,Andrey A. Toropov,Mária Rašková
UPLC-Q-TOF-MS/MS Combined with Network Pharmacology, MolecularDocking, and Animal Verification Reveals the Mechanism of InsomniaTreatment by Shen Qi Wu Wei Zi Capsules
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 27 Issue: 16 Year: 2024 Page: 2433-2445
Author(s):
Nano-QSPR Modelling of Carbon-Based Nanomaterials Properties
Journal: Current Topics in Medicinal Chemistry
Volume: 15 Issue: 18 Year: 2015 Page: 1868-1886
Author(s): Maryam Salahinejad
Topological Organic Chemistry: From Distance Matrix to Timisoara Eccentricity
Journal: Current Organic Chemistry
Volume: 19 Issue: 3 Year: 2015 Page: 249-273
Author(s): Mihai V. Putz, Marina A. Tudoran, Ottorino Ori
Intelligently Applying Artificial Intelligence in Chemoinformatics
Journal: Current Topics in Medicinal Chemistry
Volume: 18 Issue: 2 Year: 2018 Page: 1804-1826
Author(s): Sahil Sharma,Deepak Sharma