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ACS Chemical Biology
|
October 26, 2016
What Can We Learn from Bioactivity Data? Chemoinformatics Tools and Applications in Chemical Biology Research
Lina Humbeck, Oliver Koch
ACS Chemical Biology
|
June 28, 2021
Discovery of an Unexpected Similarity in Ligand Binding between BRD4 and PPARγ
Lina Humbeck, Jette Pretzel, Saskia Spitzer, et al.
Journal of Cheminformatics
|
March 18, 2018
A novel interaction fingerprint derived from per atom score contributions: exhaustive evaluation of interaction fingerprint performance in docking based virtual screening
Julia B Jasper, Lina Humbeck, Tobias Brinkjost, et al.
Molecular Informatics
|
July 8, 2024
Multi-Task ADME/PK prediction at industrial scale: leveraging large and diverse experimental datasets
Moritz Walter, Jens M Borghardt, Lina Humbeck, et al.
Chemmedchem
|
February 3, 2018
CHIPMUNK: A Virtual Synthesizable Small-Molecule Library for Medicinal Chemistry, Exploitable for Protein-Protein Interaction Modulators
Lina Humbeck, Sebastian Weigang, Till Schäfer, et al.
Journal of Cheminformatics
|
November 1, 2017
Scaffold Hunter: a comprehensive visual analytics framework for drug discovery
Till Schäfer, Nils Kriege, Lina Humbeck, et al.
Molecules (Basel, Switzerland)
|
November 27, 2021
Don't Overweight Weights: Evaluation of Weighting Strategies for Multi-Task Bioactivity Classification Models
Lina Humbeck, Tobias Morawietz, Noe Sturm, et al.
Journal of Cheminformatics
|
December 8, 2021
Splitting chemical structure data sets for federated privacy-preserving machine learning
Jaak Simm, Lina Humbeck, Adam Zalewski, et al.
Clinical and Translational Science
|
March 17, 2025
Predicting Pharmacokinetics in Rats Using Machine Learning: A Comparative Study Between Empirical, Compartmental, and PBPK-Based Approaches
Moritz Walter, Ghaith Aljayyoussi, Bettina Gerner, et al.
International Journal of Molecular Sciences
|
November 27, 2024
Insights into the Identification of iPSC- and Monocyte-Derived Macrophage-Polarizing Compounds by AI-Fueled Cell Painting Analysis Tools
Johanna B Brüggenthies, Jakob Dittmer, Eva Martin, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 11) with videos related to
Sort By:
Page
of 2
ACS Chemical Biology
|
October 26, 2016
What Can We Learn from Bioactivity Data? Chemoinformatics Tools and Applications in Chemical Biology Research
Lina Humbeck, Oliver Koch
ACS Chemical Biology
|
June 28, 2021
Discovery of an Unexpected Similarity in Ligand Binding between BRD4 and PPARγ
Lina Humbeck, Jette Pretzel, Saskia Spitzer, et al.
Journal of Cheminformatics
|
March 18, 2018
A novel interaction fingerprint derived from per atom score contributions: exhaustive evaluation of interaction fingerprint performance in docking based virtual screening
Julia B Jasper, Lina Humbeck, Tobias Brinkjost, et al.
Molecular Informatics
|
July 8, 2024
Multi-Task ADME/PK prediction at industrial scale: leveraging large and diverse experimental datasets
Moritz Walter, Jens M Borghardt, Lina Humbeck, et al.
Chemmedchem
|
February 3, 2018
CHIPMUNK: A Virtual Synthesizable Small-Molecule Library for Medicinal Chemistry, Exploitable for Protein-Protein Interaction Modulators
Lina Humbeck, Sebastian Weigang, Till Schäfer, et al.
Journal of Cheminformatics
|
November 1, 2017
Scaffold Hunter: a comprehensive visual analytics framework for drug discovery
Till Schäfer, Nils Kriege, Lina Humbeck, et al.
Molecules (Basel, Switzerland)
|
November 27, 2021
Don't Overweight Weights: Evaluation of Weighting Strategies for Multi-Task Bioactivity Classification Models
Lina Humbeck, Tobias Morawietz, Noe Sturm, et al.
Journal of Cheminformatics
|
December 8, 2021
Splitting chemical structure data sets for federated privacy-preserving machine learning
Jaak Simm, Lina Humbeck, Adam Zalewski, et al.
Clinical and Translational Science
|
March 17, 2025
Predicting Pharmacokinetics in Rats Using Machine Learning: A Comparative Study Between Empirical, Compartmental, and PBPK-Based Approaches
Moritz Walter, Ghaith Aljayyoussi, Bettina Gerner, et al.
International Journal of Molecular Sciences
|
November 27, 2024
Insights into the Identification of iPSC- and Monocyte-Derived Macrophage-Polarizing Compounds by AI-Fueled Cell Painting Analysis Tools
Johanna B Brüggenthies, Jakob Dittmer, Eva Martin, et al.
Page
of 2