K. Friedemann Schmidt

According to our database, K. Friedemann Schmidt authored at least 9 papers between 2000 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2024

HyperSBINN: A Hypernetwork-Enhanced Systems Biology-Informed Neural Network for Efficient Drug Cardiosafety Assessment.

Inass Soukarieh, Gerhard Hessler, Hervé Minoux, Marcel Mohr, K. Friedemann Schmidt, Jan Wenzel, Pierre Barbillon, Hugo Gangloff, Pierre Gloaguen

CoRR, 2024

2021

Quantum-mechanical property prediction of solvated drug molecules: what have we learned from a decade of SAMPL blind prediction challenges?

Nicolas Tielker, Lukas Eberlein, Gerhard Hessler, K. Friedemann Schmidt, Stefan Güssregen, Stefan M. Kast

J. Comput. Aided Mol. Des., 2021

2019

Predictive Multitask Deep Neural Network Models for ADME-Tox Properties: Learning from Large Data Sets.

Jan Wenzel, Hans Matter, K. Friedemann Schmidt

J. Chem. Inf. Model., 2019

2016

The SAMPL5 challenge for embedded-cluster integral equation theory: solvation free energies, aqueous p<i>K</i> _a, and cyclohexane-water log <i>D</i>.

Nicolas Tielker, Daniel Tomazic, Jochen Heil, Thomas Kloss, Sebastian Ehrhart, Stefan Güssregen, K. Friedemann Schmidt, Stefan M. Kast

J. Comput. Aided Mol. Des., 2016

2012

3D-QSAR Based on Quantum-Chemical Molecular Fields: Toward an Improved Description of Halogen Interactions.

Stefan Güssregen, Hans Matter, Gerhard Hessler, Marco Müller, K. Friedemann Schmidt, Timothy Clark

J. Chem. Inf. Model., 2012

2011

Phototoxicity - from molecular descriptors to classification models.

K. Friedemann Schmidt, Andreas Evers, Alexander Amberg, Gerhard Hessler, Catherine Robles, Karl-Heinz Baringhaus

J. Cheminformatics, 2011

2010

Erratum to: Prediction of tautomer ratios by embedded-cluster integral equation theory.

Stefan M. Kast, Jochen Heil, Stefan Güssregen, K. Friedemann Schmidt

J. Comput. Aided Mol. Des., 2010

Prediction of tautomer ratios by embedded-cluster integral equation theory.

Stefan M. Kast, Jochen Heil, Stefan Güssregen, K. Friedemann Schmidt

J. Comput. Aided Mol. Des., 2010

2000

Localization and quantification of hydrophobicity: The molecular free energy density (MolFESD) concept and its application to sweetness recognition.

Robert Jäger, K. Friedemann Schmidt, Bernd Schilling, Jürgen Brickmann

J. Comput. Aided Mol. Des., 2000