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Molecular Informatics
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August 4, 2016
Compound Structure-Independent Activity Prediction in High-Dimensional Target Space
Jenny Balfer, Ye Hu, Jürgen Bajorath
Molecular Informatics
|
August 4, 2016
Discovery of Novel Mycobacterial DNA Gyrase B Inhibitors: In Silico and In Vitro Biological Evaluation
Shalini Saxena, Janupally Renuka, Perumal Yogeeswari, et al.
Molecular Informatics
|
August 4, 2016
Pharmacophore Modeling, Ensemble Docking, Virtual Screening, and Biological Evaluation on Glycogen Synthase Kinase-3β
Gang Fu, Prasanna Sivaprakasam, Olivia R Dale, et al.
Molecular Informatics
|
February 7, 2025
KNIME Workflows for Chemoinformatic Characterization of Chemical Databases
Carlos D Ramírez-Márquez, José L Medina-Franco
Molecular Informatics
|
January 15, 2025
Structural and Dynamic Assessment of Disease-Causing Mutations for the Carnitine Transporter OCTN2
Johannes Jokiel, Marcel Bermudez
Molecular Informatics
|
November 26, 2024
Interpret Gaussian Process Models by Using Integrated Gradients
Fan Zhang, Naoaki Ono, Shigehiko Kanaya
Molecular Informatics
|
November 19, 2024
Extended Activity Cliffs-Driven Approaches on Data Splitting for the Study of Bioactivity Machine Learning Predictions
Kenneth López-Pérez, Ramón Alain Miranda-Quintana
Molecular Informatics
|
September 30, 2020
SMARTS.plus - A Toolbox for Chemical Pattern Design
Christiane Ehrt, Bennet Krause, Robert Schmidt, et al.
Molecular Informatics
|
March 24, 2020
Cheminformatics Analysis of Natural Product Scaffolds: Comparison of Scaffolds Produced by Animals, Plants, Fungi and Bacteria
Peter Ertl, Tim Schuhmann
Molecular Informatics
|
September 20, 2016
Scoring of de novo Designed Chemical Entities by Macromolecular Target Prediction
Alexander L Button, Jan A Hiss, Petra Schneider, et al.
Page
of 108
Search research articles
Search
Showing results (21-30 of 1,072) with videos related to
Sort By:
Page
of 108
Molecular Informatics
|
August 4, 2016
Compound Structure-Independent Activity Prediction in High-Dimensional Target Space
Jenny Balfer, Ye Hu, Jürgen Bajorath
Molecular Informatics
|
August 4, 2016
Discovery of Novel Mycobacterial DNA Gyrase B Inhibitors: In Silico and In Vitro Biological Evaluation
Shalini Saxena, Janupally Renuka, Perumal Yogeeswari, et al.
Molecular Informatics
|
August 4, 2016
Pharmacophore Modeling, Ensemble Docking, Virtual Screening, and Biological Evaluation on Glycogen Synthase Kinase-3β
Gang Fu, Prasanna Sivaprakasam, Olivia R Dale, et al.
Molecular Informatics
|
February 7, 2025
KNIME Workflows for Chemoinformatic Characterization of Chemical Databases
Carlos D Ramírez-Márquez, José L Medina-Franco
Molecular Informatics
|
January 15, 2025
Structural and Dynamic Assessment of Disease-Causing Mutations for the Carnitine Transporter OCTN2
Johannes Jokiel, Marcel Bermudez
Molecular Informatics
|
November 26, 2024
Interpret Gaussian Process Models by Using Integrated Gradients
Fan Zhang, Naoaki Ono, Shigehiko Kanaya
Molecular Informatics
|
November 19, 2024
Extended Activity Cliffs-Driven Approaches on Data Splitting for the Study of Bioactivity Machine Learning Predictions
Kenneth López-Pérez, Ramón Alain Miranda-Quintana
Molecular Informatics
|
September 30, 2020
SMARTS.plus - A Toolbox for Chemical Pattern Design
Christiane Ehrt, Bennet Krause, Robert Schmidt, et al.
Molecular Informatics
|
March 24, 2020
Cheminformatics Analysis of Natural Product Scaffolds: Comparison of Scaffolds Produced by Animals, Plants, Fungi and Bacteria
Peter Ertl, Tim Schuhmann
Molecular Informatics
|
September 20, 2016
Scoring of de novo Designed Chemical Entities by Macromolecular Target Prediction
Alexander L Button, Jan A Hiss, Petra Schneider, et al.
Page
of 108