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Molecular Informatics|November 30, 2018
A Neural Network QSPR Model for Accurate Prediction of Flash Point of Pure HydrocarbonsH Mirshahvalad, R Ghasemiasl, Nahid Raoufi, et al.
Molecular Informatics|December 6, 2019
Validation Study of QSAR/DNN Models Using the Competition DatasetsYoshiki Kato, Shinji Hamada, Hitoshi Goto
Molecular Informatics|February 13, 2019
The Acid Strength of the Lewis-Brønsted Superacids - A QSPR StudyAnita Sosnowska, Jakub Brzeski, Piotr Skurski, et al.
Molecular Informatics|November 24, 2020
Visualization and Analysis of the REACH-chemical Space with Generative Topographic MappingFilippo Lunghini, Marcou Gilles, Philippe Azam, et al.
Molecular Informatics|February 15, 2018
Prediction of Protein-compound Binding Energies from Known Activity Data: Docking-score-based Method and its ApplicationsYoshifumi Fukunishi, Yasunobu Yamashita, Tadaaki Mashimo, et al.
Molecular Informatics|January 28, 2020
The Effect of Resampling on Data-imbalanced Conditions for Prediction towards Nuclear Receptor Profiling Using Deep LearningYong Oh Lee, Young Jun Kim
Molecular Informatics|October 28, 2021
Discovery of Inhibitors for Mycobacterium Tuberculosis Peptide Deformylase Based on Virtual Screening in SilicoXinpeng Li, Qihua Jiang, Xiaolan Yang
Molecular Informatics|August 18, 2017
Structure Modification toward Applicability Domain of a QSAR/QSPR Model Considering Activity/PropertyShoki Ochi, Tomoyuki Miyao, Kimito Funatsu
Molecular Informatics|July 21, 2017
ParSel: Parallel Selection of Micro-RNAs for Survival Classification in CancersDebajyoti Sinha, Debarka Sengupta, Sanghamitra Bandyopadhyay
Molecular Informatics|October 13, 2017
Importance of an Orchestrate Participation of each Individual Residue Present at a Catalytic SiteSantanu Das
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