Peter Ertl
Orcid: 0000-0001-6496-4448
According to our database1,
Peter Ertl
authored at least 38 papers
between 2001 and 2024.
Collaborative distances:
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Bibliography
2024
J. Chem. Inf. Model., February, 2024
MELLODDY: Cross-pharma Federated Learning at Unprecedented Scale Unlocks Benefits in QSAR without Compromising Proprietary Information.
J. Chem. Inf. Model., 2024
2022
J. Chem. Inf. Model., 2022
2021
CAVIAR: a method for automatic cavity detection, description and decomposition into subcavities.
J. Comput. Aided Mol. Des., 2021
2020
J. Chem. Inf. Model., 2020
J. Cheminformatics, 2020
GEN: highly efficient SMILES explorer using autodidactic generative examination networks.
J. Cheminformatics, 2020
J. Comput. Aided Mol. Des., 2020
Elektrotech. Informationstechnik, 2020
2017
J. Cheminformatics, 2017
In silico generation of novel, drug-like chemical matter using the LSTM neural network.
CoRR, 2017
2015
J. Chem. Inf. Model., 2015
Wikipedia Chemical Structure Explorer: substructure and similarity searching of molecules from Wikipedia.
J. Cheminformatics, 2015
2014
Intuitive Ordering of Scaffolds and Scaffold Similarity Searching Using Scaffold Keys.
J. Chem. Inf. Model., 2014
2013
2012
J. Cheminformatics, 2012
J. Comput. Aided Mol. Des., 2012
J. Comput. Aided Mol. Des., 2012
BMC Bioinform., 2012
2011
Mining for Bioactive Scaffolds with Scaffold Networks: Improved Compound Set Enrichment from Primary Screening Data.
J. Chem. Inf. Model., 2011
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information.
J. Cheminformatics, 2011
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information.
J. Comput. Aided Mol. Des., 2011
2010
J. Chem. Inf. Model., 2010
2009
Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions.
J. Cheminformatics, 2009
Interdigitated impedance sensors for analysis of biological cells in microfluidic biochips.
Elektrotech. Informationstechnik, 2009
2008
Natural Product-likeness Score and Its Application for Prioritization of Compound Libraries.
J. Chem. Inf. Model., 2008
2007
The Scaffold Tree - Visualization of the Scaffold Universe by Hierarchical Scaffold Classification.
J. Chem. Inf. Model., 2007
Clustering and Rule-Based Classifications of Chemical Structures Evaluated in the Biological Activity Space.
J. Chem. Inf. Model., 2007
Estimation of p<i>K</i><sub>a</sub> for Druglike Compounds Using Semiempirical and Information-Based Descriptors.
J. Chem. Inf. Model., 2007
2006
Applications of Self-Organizing Neural Networks in Virtual Screening and Diversity Selection.
J. Chem. Inf. Model., 2006
Relationships between Molecular Complexity, Biological Activity, and Structural Diversity.
J. Chem. Inf. Model., 2006
Introducing the Consensus Modeling Concept in Genetic Algorithms: Application to Interpretable Discriminant Analysis.
J. Chem. Inf. Model., 2006
2005
J. Comput. Aided Mol. Des., 2005
2003
Cheminformatics Analysis of Organic Substituents: Identification of the Most Common Substituents, Calculation of Substituent Properties, and Automatic Identification of Drug-like Bioisosteric Groups.
J. Chem. Inf. Comput. Sci., 2003
2001
Computational Modeling of a Binding Conformation of the Intermediate L-Histidinal to Histidinol Dehydrogenase.
J. Chem. Inf. Comput. Sci., 2001