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Molecular Informatics|July 27, 2019
Benserazide Perturbs Kif15-kinesin Binding Protein Interaction with Prolonged Metaphase and Defects in Chromosomal Congression: A Study Based on in silico Modeling and Cell CultureJomon Sebastian, Krishnan Rathinasamy
Molecular Informatics|March 8, 2017
Crystal Structure Representation for Neural Networks using Topological ApproachAleksandr V Fedorov, Ivan V Shamanaev
Molecular Informatics|February 5, 2022
Prediction of the Chemical Context for Buchwald-Hartwig Coupling ReactionsSamuel Genheden, Agnes Mårdh, Gustav Lahti, et al.
Molecular Informatics|February 10, 2022
Data Mining Meets Machine Learning: A Novel ANN-based Multi-body Interaction Docking Scoring Function (MBI-score) Based on Utilizing Frequent Geometric and Chemical Patterns of Interfacial Atoms in Native Protein-ligand ComplexesRaed Khashan, Alexander Tropsha, Weifan Zheng
Molecular Informatics|October 18, 2019
Omics-based Identification of Glycan Structures as Biomarkers for a Variety of DiseasesSayaka Akiyoshi, Michio Iwata, Francois Berenger, et al.
Molecular Informatics|September 28, 2018
Data Visualization, Regression, Applicability Domains and Inverse Analysis Based on Generative Topographic MappingHiromasa Kaneko
Molecular Informatics|May 15, 2018
Design Strategy of Multi-electron Transfer Catalysts Based on a Bioinformatic Analysis of Oxygen Evolution and Reduction EnzymesHideshi Ooka, Kazuhito Hashimoto, Ryuhei Nakamura
Molecular Informatics|August 25, 2018
On the Misleading Use of for QSAR Model ComparisonViviana Consonni, Roberto Todeschini, Davide Ballabio, et al.
Molecular Informatics|August 12, 2022
MolPredictX: Online Biological Activity Predictions by Machine Learning ModelsMarcus Tullius Scotti, Chonny Herrera-Acevedo, Renata Priscila Barros de Menezes, et al.
Molecular Informatics|August 22, 2025
Machine Learning-Based Identification of Petroleum Distillates and Gasoline Traces Using Measured and Synthetic GC Spectra from Collected SamplesOmer Kaspi, Yaniv Y Avissar, Arnon Grafit, et al.
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