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Molecular Informatics|March 10, 2020
Discovery of Vascular Endothelial Growth Factor Receptor-2 (VEGFR-2) Inhibitors by Ligand-based Virtual High Throughput ScreeningChelliah Selvam, Charlotta D Mock, Omana P Mathew, et al.
Molecular Informatics|February 21, 2020
Assessing Graph-based Deep Learning Models for Predicting Flash PointXiaoyu Sun, Nathaniel J Krakauer, Alexander Politowicz, et al.
Molecular Informatics|November 27, 2018
Ecotoxicological Modeling, Ranking and Prioritization of Pharmaceuticals Using QSTR and i-QSTTR Approaches: Application of 2D and Fragment Based DescriptorsKabiruddin Khan, Supratik Kar, Hans Sanderson, et al.
Molecular Informatics|January 18, 2019
Ambit-GCM: An Open-source Software Tool for Group Contribution ModellingNikolay Kochev, Vesselina Paskaleva, Ognyan Pukalov, et al.
Molecular Informatics|October 26, 2017
R-based Tool for a Pairwise Structure-activity Relationship AnalysisKyrylo Klimenko
Molecular Informatics|January 24, 2018
Classifiers and their Metrics QuantifiedJ B Brown
Molecular Informatics|June 1, 2021
Machine Learning Boosted Docking (HASTEN): An Open-source Tool To Accelerate Structure-based Virtual Screening CampaignsTuomo Kalliokoski
Molecular Informatics|March 13, 2020
In Silico Prediction of Metabolic Epoxidation for Drug-like Molecules via Machine Learning MethodsJiajing Hu, Yingchun Cai, Weihua Li, et al.
Molecular Informatics|January 6, 2021
QSAR Modeling of SARS-CoV Mpro Inhibitors Identifies Sufugolix, Cenicriviroc, Proglumetacin, and other Drugs as Candidates for Repurposing against SARS-CoV-2Vinicius M Alves, Tesia Bobrowski, Cleber C Melo-Filho, et al.
Molecular Informatics|December 7, 2020
Targeting Mycobacterium Tuberculosis Enoyl-Acyl Carrier Protein Reductase Using Computational Tools for Identification of Potential Inhibitor and their Biological ActivityJitendra Kuldeep, Sandeep K Sharma, Tanuj Sharma, et al.
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