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Molecular Informatics|August 19, 2021
MGRNN: Structure Generation of Molecules Based on Graph Recurrent Neural NetworksXin Lai, Peisong Yang, Kunfeng Wang, et al.
Molecular Informatics|August 24, 2021
Structure-based Pharmacophore Screening Coupled with QSAR Analysis Identified Potent Natural-product-derived IRAK-4 InhibitorsMohammad A Khanfar
Molecular Informatics|August 3, 2021
Multiple Conformer Descriptors for QSAR ModelingAleksandra Nikonenko, Dmitry Zankov, Igor Baskin, et al.
Molecular Informatics|June 20, 2020
Generative Adversarial Networks (GANs) Based Synthetic Sampling for Predictive ModelingStephen J Barigye, José M García de la Vega, Yunierkis Perez-Castillo
Molecular Informatics|December 21, 2021
Chemoinformatic Characterization of Synthetic Screening Libraries Focused on Epigenetic TargetsE Alexis Flores-Padilla, K Eurídice Juárez-Mercado, José J Naveja, et al.
Molecular Informatics|December 31, 2021
Network-Based Approaches for Drug RepositioningTao Song, Gan Wang, Mao Ding, et al.
Molecular Informatics|January 4, 2022
Exploration of the Chemical Space of DNA-encoded LibrariesRegina Pikalyova, Yuliana Zabolotna, Dmitriy M Volochnyuk, et al.
Molecular Informatics|December 8, 2021
Turbo Similarity Searching: Effect of Partial Ranking and Fusion Rules on ChEMBL DatabaseAbeer Abdulhakeem Mansour Alhasbary, Nurul Hashimah Ahamed Hassain Malim
Molecular Informatics|December 11, 2021
Molecular Energies Derived from Deep Learning: Application to the Prediction of Formation Enthalpies Up to High Energy CompoundsDidier Mathieu
Molecular Informatics|September 28, 2022
Machine Learning to Predict Homolytic Dissociation Energies of C-H Bonds: Calibration of DFT-based Models with Experimental DataWanli Li, Yue Luan, Qingyou Zhang, et al.
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