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Molecular Informatics|October 26, 2016
Public (Q)SAR Services, Integrated Modeling Environments, and Model Repositories on the Web: State of the Art and Perspectives for Future DevelopmentIgor V Tetko, Uko Maran, Alexander TropshaMolecular Informatics|November 22, 2016
Empirical Scoring Functions for Affinity Prediction of Protein-ligand ComplexesLukas P Pason, Christoph A SotrifferMolecular Informatics|December 22, 2016
A Robust and Efficient Feature Selection Algorithm for Microarray DataMehrab Ghanat Bari, Sirajul Salekin, Jianqiu Michelle ZhangMolecular Informatics|February 18, 2014
Comparing the Chemical Structure and Protein Content of ChEMBL, DrugBank, Human Metabolome Database and the Therapeutic Target DatabaseChristopher Southan, Markus Sitzmann, Sorel MuresanMolecular Informatics|February 2, 2017
In Silico Identification of Proteins Associated with Drug-induced Liver Injury Based on the Prediction of Drug-target InteractionsSergey Ivanov, Maxim Semin, Alexey Lagunin, et al.Molecular Informatics|February 22, 2017
Computational Biology and Chemistry in MTi: Emphasis on the Prediction of Some ADMET PropertiesMaria A Miteva, Bruno O VilloutreixMolecular Informatics|April 5, 2019
The Role of Intramolecular Interactions on the Bioactive Conformation of EpinephrineDaniela R Silva, Josué M Silla, Lucas A Santos, et al.Molecular Informatics|March 13, 2019
The Acid/Base Profile of a Large Food Chemical DatabaseMarisa G Santibáñez-Morán, Mariel P Rico-Hidalgo, David T Manallack, et al.Molecular Informatics|August 26, 2025
LiProS: Findable, Accessible, Interoperable, and Reusable Data Simulation Workflow to Predict Accurate Lipophilicity Profiles for Small MoleculesEsteban Bertsch-Aguilar, Antonio Piedra, Daniel Acuña, et al.Molecular Informatics|August 5, 2016
Quality Assessment of Predicted Protein Models Using Energies Calculated by the Fragment Molecular Orbital MethodDavid Simoncini, Hiroya Nakata, Koji Ogata, et al.Pageof 101