K. Friedemann Schmidt - researchr alias

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Viewing Publication 1 - 8 from 8

2025

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. jcamd, 35(4):453-472, 2021. [doi]

2019

Predictive Multitask Deep Neural Network Models for ADME-Tox Properties: Learning from Large Data SetsJan Wenzel, Hans Matter, K. Friedemann Schmidt. jcisd, 59(3):1253-1268, 2019. [doi]

2016

DNicolas Tielker, Daniel Tomazic, Jochen Heil, Thomas Kloss, Sebastian Ehrhart, Stefan Güssregen, K. Friedemann Schmidt, Stefan M. Kast. jcamd, 30(11):1035-1044, 2016. [doi]

2012

3D-QSAR Based on Quantum-Chemical Molecular Fields: Toward an Improved Description of Halogen InteractionsStefan Güssregen, Hans Matter, Gerhard Hessler, Marco Müller, K. Friedemann Schmidt, Timothy Clark. jcisd, 52(9):2441-2453, 2012. [doi]

2011

Phototoxicity - from molecular descriptors to classification modelsK. Friedemann Schmidt, Andreas Evers, Alexander Amberg, Gerhard Hessler, Catherine Robles, Karl-Heinz Baringhaus. jcheminf, 3(S-1):10, 2011. [doi]

2010

Erratum to: Prediction of tautomer ratios by embedded-cluster integral equation theoryStefan M. Kast, Jochen Heil, Stefan Güssregen, K. Friedemann Schmidt. jcamd, 24(4):355, 2010. [doi]

Prediction of tautomer ratios by embedded-cluster integral equation theoryStefan M. Kast, Jochen Heil, Stefan Güssregen, K. Friedemann Schmidt. jcamd, 24(4):343-353, 2010. [doi]

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