Peter Gedeck
Orcid: 0000-0002-4111-3162
According to our database1,
Peter Gedeck
authored at least 13 papers
between 2003 and 2019.
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Bibliography
2019
Prediction of pKa Using Machine Learning Methods with Rooted Topological Torsion Fingerprints: Application to Aliphatic Amines.
J. Chem. Inf. Model., 2019
Capturing mixture composition: an open machine-readable format for representing mixed substances.
J. Cheminformatics, 2019
2017
J. Chem. Inf. Model., August, 2017
Shared Consensus Machine Learning Models for Predicting Blood Stage Malaria Inhibition.
J. Chem. Inf. Model., 2017
2015
FOCUS - Development of a Global Communication and Modeling Platform for Applied and Computational Medicinal Chemists.
J. Chem. Inf. Model., 2015
Benefit of Retraining p<i>K</i><sub>a</sub> Models Studied Using Internally Measured Data.
J. Chem. Inf. Model., 2015
2013
J. Chem. Inf. Model., 2013
2012
Atomic multipoles: Electrostatic potential fit, local reference axis systems, and conformational dependence.
J. Comput. Chem., 2012
2011
J. Chem. Inf. Model., 2011
Global Free Energy Scoring Functions Based on Distance-Dependent Atom-Type Pair Descriptors.
J. Chem. Inf. Model., 2011
2010
Leave-Cluster-Out Cross-Validation Is Appropriate for Scoring Functions Derived from Diverse Protein Data Sets.
J. Chem. Inf. Model., 2010
2006
QSAR - How Good Is It in Practice? Comparison of Descriptor Sets on an Unbiased Cross Section of Corporate Data Sets.
J. Chem. Inf. Model., 2006
2003
J. Chem. Inf. Comput. Sci., 2003