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Molecular Informatics|January 8, 2019
Alkanes with the First Three Maximal/Minimal Modified First Zagreb Connection IndicesZhibin Du, Akbar Ali, Nenad TrinajstićMolecular Informatics|November 15, 2017
Development of Predictive QSAR Models of 4-Thiazolidinones Antitrypanosomal Activity Using Modern Machine Learning AlgorithmsAnna Kryshchyshyn, Oleg Devinyak, Danylo Kaminskyy, et al.Molecular Informatics|February 7, 2019
Identification of New Potent Acetylcholinesterase Inhibitors Using Virtual Screening and in vitro ApproachesEl Hassen Mokrani, Abderrahmane Bensegueni, Ludovic Chaput, et al.Molecular Informatics|July 29, 2021
Design, Bio-evaluation and Molecular Dynamics Simulation of Novel GSK-3β InhibitorsWeiping Lyu, Qihang Li, Qi Li, et al.Molecular Informatics|October 23, 2018
The Development of a Weighted Index to Optimise Compound Libraries for High Throughput ScreeningChatchakorn Eurtivong, Jóhannes ReynissonMolecular Informatics|October 23, 2018
Interpretation of QSAR Models: Mining Structural Patterns Taking into Account Molecular ContextMariia Matveieva, Mark T D Cronin, Pavel PolishchukMolecular Informatics|October 29, 2018
Design of Potent Panobinostat Histone Deacetylase Inhibitor Derivatives: Molecular Considerations for Enhanced Isozyme Selectivity between HDAC2 and HDAC8Shana V Stoddard, Xavier A May, Fatima Rivas, et al.Molecular Informatics|October 7, 2016
Molecular Simulations Bring New Insights into Protoporphyrinogen IX Oxidase/Protoporphyrinogen IX Interaction ModesBaifan Wang, Xin Wen, Zhen XiMolecular Informatics|October 26, 2016
Public (Q)SAR Services, Integrated Modeling Environments, and Model Repositories on the Web: State of the Art and Perspectives for Future DevelopmentIgor V Tetko, Uko Maran, Alexander TropshaMolecular Informatics|November 22, 2016
Empirical Scoring Functions for Affinity Prediction of Protein-ligand ComplexesLukas P Pason, Christoph A SotrifferPageof 101