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Journal of Chemical Information and Modeling|September 23, 2022
The Effect of Surface Composition on the Selective Capture of Atmospheric CO<sub>2</sub> by ZIF Nanoparticles: The Case of ZIF-8Alexsander C Vendite, Thereza A Soares, Kaline CoutinhoJournal of Chemical Information and Modeling|October 27, 2022
ReLMole: Molecular Representation Learning Based on Two-Level Graph SimilaritiesZewei Ji, Runhan Shi, Jiarui Lu, et al.Journal of Chemical Information and Modeling|October 11, 2022
On the Recognition of Natural Substrate CTP and Endogenous Inhibitor ddhCTP of SARS-CoV-2 RNA-Dependent RNA Polymerase: A Molecular Dynamics StudyAngela Parise, Giada Ciardullo, Mario Prejanò, et al.Journal of Chemical Information and Modeling|October 12, 2022
Fast Prediction of Lipophilicity of Organofluorine Molecules: Deep Learning-Derived Polarity Characters and Experimental TestsQingqing Jia, Yifan Ni, Ziteng Liu, et al.Journal of Chemical Information and Modeling|October 14, 2022
Building Chemical Property Models for Energetic Materials from Small Datasets Using a Transfer Learning ApproachJoshua L Lansford, Brian C Barnes, Betsy M Rice, et al.Journal of Chemical Information and Modeling|November 4, 2022
Stepwise Strategy to Identify Thrombin as a Hydrolytic Substrate for NattokinaseYing Wang, Huan Wang, Yupeng Zhang, et al.Journal of Chemical Information and Modeling|November 4, 2022
Rapid Automated Quantification of Triacylglyceride Crystallinity in Molecular Dynamics SimulationsRobert J Cordina, Beccy Smith, Tell TuttleJournal of Chemical Information and Modeling|November 4, 2022
Inverse QSAR: Reversing Descriptor-Driven Prediction Pipeline Using Attention-Based Conditional Variational AutoencoderWilliam Bort, Daniyar Mazitov, Dragos Horvath, et al.Journal of Chemical Information and Modeling|October 16, 2014
Serendipitous discovery of short peptides from natural products as tyrosinase inhibitorsNai-Wan Hsiao, Tien-Sheng Tseng, Yu-Ching Lee, et al.Journal of Chemical Information and Modeling|October 16, 2014
Benchmarking study of parameter variation when using signature fingerprints together with support vector machinesJonathan Alvarsson, Martin Eklund, Claes Andersson, et al.Pageof 892