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Molecular Informatics|August 5, 2016
Data Mining and Machine Learning Tools for Combinatorial Material Science of All-Oxide Photovoltaic CellsAbraham Yosipof, Oren E Nahum, Assaf Y Anderson, et al.
Molecular Informatics|August 5, 2016
In silico Prediction of Aqueous Solubility: a Comparative Study of Local and Global Predictive ModelsOleg A Raevsky, Daniel E Polianczyk, Veniamin Yu Grigorev, et al.
Molecular Informatics|August 5, 2016
In Silico Predictions of Drug - Drug Interactions Caused by CYP1A2, 2C9 and 3A4 Inhibition - a Comparative Study of Virtual Screening PerformanceTeresa Kaserer, Martina Höferl, Klara Müller, et al.
Molecular Informatics|August 5, 2016
Greedy and Linear Ensembles of Machine Learning Methods Outperform Single Approaches for QSPR Regression ProblemsWilliam Kew, John B O Mitchell
Molecular Informatics|August 5, 2016
3-Chlorotyramine Acting as Ligand of the D2 Dopamine Receptor. Molecular Modeling, Synthesis and D2 Receptor AffinityEmilio Angelina, Sebastian Andujar, Laura Moreno, et al.
Molecular Informatics|August 5, 2016
Pred-hERG: A Novel web-Accessible Computational Tool for Predicting Cardiac ToxicityRodolpho C Braga, Vinicius M Alves, Meryck F B Silva, et al.
Molecular Informatics|August 5, 2016
Prediction of Nucleotide Binding Peptides Using Star Graph Topological IndicesYong Liu, Cristian R Munteanu, Enrique Fernández Blanco, et al.
Molecular Informatics|August 6, 2016
Comparative Analysis of QSAR-based vs. Chemical Similarity Based Predictors of GPCRs Binding AffinityMan Luo, Xiang S Wang, Alexander Tropsha
Molecular Informatics|August 6, 2016
ADOMA: A Command Line Tool to Modify ClustalW Multiple Alignment OutputDionne Zaal, Benjamin Nota
Molecular Informatics|August 6, 2016
Predictive Models for Halogen-bond Basicity of Binding Sites of Polyfunctional MoleculesMarta Glavatskikh, Timur Madzhidov, Vitaly Solov'ev, et al.
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