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Journal of Chemical Information and Modeling|September 22, 2021
Critical Assessment of Conformal Prediction Methods Applied in Binary Classification SettingsDamjan KrstajicJournal of Chemical Information and Modeling|September 24, 2021
Electron Donor-Acceptor Properties of Different Muscarinic Ligands: On the Road to Control SchizophreniaGuillermo Goode-Romero, Laura Dominguez, Ana MartínezJournal of Chemical Information and Modeling|January 24, 2022
Inclusion of Desolvation Energy into Protein-Protein Docking through Atomic Contact PotentialsHao Li, Yumeng Yan, Xuejun Zhao, et al.Journal of Chemical Information and Modeling|October 27, 2021
Flexible CDOCKER: Hybrid Searching Algorithm and Scoring Function with Side Chain Conformational EntropyYujin Wu, Charles L BrooksJournal of Chemical Information and Modeling|February 2, 2022
Computational Identification of Possible Allosteric Sites and Modulators of the SARS-CoV-2 Main ProteaseDebarati DasGupta, Wallace K B Chan, Heather A CarlsonJournal of Chemical Information and Modeling|April 19, 2022
3-Input AND Molecular Logic Gate with Enhanced Fluorescence Output: The Key Atom for the Accurate Prediction of the SpectraChristina Eleftheria Tzeliou, Demeter TzeliJournal of Chemical Information and Modeling|July 11, 2022
Leveraging Protein Dynamics to Identify Functional Phosphorylation Sites using Deep Learning ModelsFei Zhu, Sijie Yang, Fanwang Meng, et al.Journal of Chemical Information and Modeling|July 15, 2022
Graph Neural Network with Self-Supervised Learning for Noncoding RNA-Drug Resistance Association PredictionJingjing Zheng, Yurong Qian, Jie He, et al.Journal of Chemical Information and Modeling|July 18, 2022
DOCKSTRING: Easy Molecular Docking Yields Better Benchmarks for Ligand DesignMiguel García-Ortegón, Gregor N C Simm, Austin J Tripp, et al.Journal of Chemical Information and Modeling|July 19, 2022
Resampling Techniques for Materials Informatics: Limitations in Crystal Point Groups ClassificationAbdulmohsen A Alsaui, Yousef A Alghofaili, Mohammed Alghadeer, et al.Pageof 909