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Journal of Chemical Information and Modeling|November 30, 2023
Revealing the Formation Dynamics of Janus Polymer Particles: Insights from Experiments and Molecular DynamicsMiroslava Nedyalkova, Giovanni Russo, Philip Loche, et al.Journal of Chemical Information and Modeling|November 22, 2023
Ensemble Geometric Deep Learning of Aqueous SolubilityMohammad M Ghahremanpour, Anastasia Saar, Julian Tirado-Rives, et al.Journal of Chemical Information and Modeling|November 24, 2023
Metal-Organic Framework Membrane Constructor: A Tool for High-Throughput Construction of Metal-Organic Framework Membrane ModelsShitong Zhang, Yanjing He, Shengtang Liu, et al.Journal of Chemical Information and Modeling|November 22, 2023
VGAE-MCTS: A New Molecular Generative Model Combining the Variational Graph Auto-Encoder and Monte Carlo Tree SearchHiroaki Iwata, Taichi Nakai, Takuto Koyama, et al.Journal of Chemical Information and Modeling|November 24, 2023
Systematic Comparison of Experimental Crystallographic Geometries and Gas-Phase Computed Conformers for Torsion PreferencesDakota L Folmsbee, David R Koes, Geoffrey R HutchisonJournal of Chemical Information and Modeling|November 21, 2023
QuantumScents: Quantum-Mechanical Properties for 3.5k Olfactory MoleculesJackson W Burns, David M RogersJournal of Chemical Information and Modeling|November 22, 2023
GGNpTCR: A Generative Graph Structure Neural Network for Predicting Immunogenic Peptides for T-cell Immune ResponseMinghua Zhao, Steven X Xu, Yaning Yang, et al.Journal of Chemical Information and Modeling|November 22, 2023
Exploring the Fatty Acid Binding Pocket in the SARS-CoV-2 Spike Protein - Confirmed and Potential LigandsLuís Queirós-Reis, João R Mesquita, Andrea Brancale, et al.Journal of Chemical Information and Modeling|November 20, 2023
Identification of High-Reliability Regions of Machine Learning Predictions Based on Materials ChemistryEvan M Askenazi, Emanuel A Lazar, Ilya GrinbergJournal of Chemical Information and Modeling|November 20, 2023
Opinion Mining by Convolutional Neural Networks for Maximizing Discoverability of NanomaterialsTong Xie, Yuwei Wan, Haoran Wang, et al.Pageof 909