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Molecular Informatics
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July 29, 2016
Boltzmann-Enhanced Flexible Atom-Pair Kernel with Dynamic Dimension Reduction
Andreas Jahn, Georg Hinselmann, Lars Rosenbaum, et al.
Molecular Informatics
|
July 28, 2016
Probabilistic Modeling of Conformational Space for 3D Machine Learning Approaches
Andreas Jahn, Georg Hinselmann, Nikolas Fechner, et al.
Molecular Informatics
|
July 28, 2016
A Free-Wilson-like Approach to Analyze QSAR Models Based on Graph Decomposition Kernels
Nikolas Fechner, Georg Hinselmann, Andreas Jahn, et al.
Journal of Medicinal Chemistry
|
October 10, 2023
Prediction of Small-Molecule Developability Using Large-Scale <i>In Silico</i> ADMET Models
Maximilian Beckers, Noé Sturm, Finton Sirockin, et al.
Journal of Chemical Information and Modeling
|
January 7, 2011
Large-scale learning of structure-activity relationships using a linear support vector machine and problem-specific metrics
Georg Hinselmann, Lars Rosenbaum, Andreas Jahn, et al.
Bioinformatics (Oxford, England)
|
December 22, 2012
ChEMBLSpace--a graphical explorer of the chemogenomic space covered by the ChEMBL database
Nikolas Fechner, George Papadatos, David Evans, et al.
Nature Reviews. Drug Discovery
|
July 7, 2025
The changing landscape of medicinal chemistry optimization
Anita Rácz, Levente M Mihalovits, Maximilian Beckers, et al.
Journal of Chemical Information and Modeling
|
July 24, 2023
PREFER: A New Predictive Modeling Framework for Molecular Discovery
Jessica Lanini, Gianluca Santarossa, Finton Sirockin, et al.
Journal of Medicinal Chemistry
|
November 3, 2020
Evolution of Novartis' Small Molecule Screening Deck Design
Ansgar Schuffenhauer, Nadine Schneider, Samuel Hintermann, et al.
Journal of Chemical Information and Modeling
|
August 29, 2023
MELLODDY: Cross-pharma Federated Learning at Unprecedented Scale Unlocks Benefits in QSAR without Compromising Proprietary Information
Wouter Heyndrickx, Lewis Mervin, Tobias Morawietz, et al.
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of 2
Search research articles
Search
Showing results (11-20 of 20) with videos related to
Sort By:
Page
of 2
You have reached the last page of results.
This site can display upto 20 results.
Molecular Informatics
|
July 29, 2016
Boltzmann-Enhanced Flexible Atom-Pair Kernel with Dynamic Dimension Reduction
Andreas Jahn, Georg Hinselmann, Lars Rosenbaum, et al.
Molecular Informatics
|
July 28, 2016
Probabilistic Modeling of Conformational Space for 3D Machine Learning Approaches
Andreas Jahn, Georg Hinselmann, Nikolas Fechner, et al.
Molecular Informatics
|
July 28, 2016
A Free-Wilson-like Approach to Analyze QSAR Models Based on Graph Decomposition Kernels
Nikolas Fechner, Georg Hinselmann, Andreas Jahn, et al.
Journal of Medicinal Chemistry
|
October 10, 2023
Prediction of Small-Molecule Developability Using Large-Scale <i>In Silico</i> ADMET Models
Maximilian Beckers, Noé Sturm, Finton Sirockin, et al.
Journal of Chemical Information and Modeling
|
January 7, 2011
Large-scale learning of structure-activity relationships using a linear support vector machine and problem-specific metrics
Georg Hinselmann, Lars Rosenbaum, Andreas Jahn, et al.
Bioinformatics (Oxford, England)
|
December 22, 2012
ChEMBLSpace--a graphical explorer of the chemogenomic space covered by the ChEMBL database
Nikolas Fechner, George Papadatos, David Evans, et al.
Nature Reviews. Drug Discovery
|
July 7, 2025
The changing landscape of medicinal chemistry optimization
Anita Rácz, Levente M Mihalovits, Maximilian Beckers, et al.
Journal of Chemical Information and Modeling
|
July 24, 2023
PREFER: A New Predictive Modeling Framework for Molecular Discovery
Jessica Lanini, Gianluca Santarossa, Finton Sirockin, et al.
Journal of Medicinal Chemistry
|
November 3, 2020
Evolution of Novartis' Small Molecule Screening Deck Design
Ansgar Schuffenhauer, Nadine Schneider, Samuel Hintermann, et al.
Journal of Chemical Information and Modeling
|
August 29, 2023
MELLODDY: Cross-pharma Federated Learning at Unprecedented Scale Unlocks Benefits in QSAR without Compromising Proprietary Information
Wouter Heyndrickx, Lewis Mervin, Tobias Morawietz, et al.
Page
of 2