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Molecular Informatics|December 15, 2018
Random Forest Model with Combined Features: A Practical Approach to Predict Liquid-crystalline PropertyChia-Hsiu Chen, Kenichi Tanaka, Kimito Funatsu
Molecular Informatics|December 15, 2018
Integrated QSAR Models to Predict Acute Oral Systemic ToxicityDavide Ballabio, Francesca Grisoni, Viviana Consonni, et al.
Molecular Informatics|December 1, 2018
A Survey of Multi-task Learning Methods in ChemoinformaticsSergey Sosnin, Mariia Vashurina, Michael Withnall, et al.
Molecular Informatics|September 6, 2022
Exploring the Gallic and Cinnamic Acids Chimeric Derivatives as Anticancer Agents over HeLa Cell Line: An in silico and in vitro StudyNinfa Yaret Nolasco-Quintana, Leticia González-Maya, Rodrigo Said Razo-Hernández, et al.
Molecular Informatics|November 27, 2021
Quasi-supervised Strategies for Compound-protein Interaction PredictionOnur Çakı, Bilge Karaçalı
Molecular Informatics|December 29, 2021
Chemical Reactivity Prediction: Current Methods and Different Application AreasPeter Ertl, Grégori Gerebtzoff, Richard Lewis, et al.
Molecular Informatics|November 9, 2021
RENATE: A Pseudo-retrosynthetic Tool for Synthetically Accessible de novo DesignGian Marco Ghiandoni, Michael J Bodkin, Beining Chen, et al.
Molecular Informatics|January 10, 2022
Technique of Augmenting Molecular Graph Data by Perturbating Hidden FeaturesTakahiro Inoue, Kenichi Tanaka, Kimito Funatsu
Molecular Informatics|September 7, 2019
Integration of Cancer Genomics Data for Tree-based Dimensionality Reduction and Cancer Outcome PredictionMingguang Shi, Junwen Wang, Chenyu Zhang
Molecular Informatics|September 12, 2019
A Combination of Pharmacophore and Docking-based Virtual Screening to Discover new Tyrosinase InhibitorsSerena Vittorio, Thomas Seidel, Maria Paola Germanò, et al.
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