We stand with Ukraine

We stand with Ukraine

Peter Ertl

Orcid: 0000-0001-6496-4448

According to our database¹, Peter Ertl authored at least 37 papers between 2001 and 2024.

Collaborative distances:

Dijkstra number² of five.
Erdős number³ of four.

Timeline

Legend:

Book

In proceedings

Article

PhD thesis

Dataset

Other

Links

Online presence:

on orcid.org
on scholar.google.com

On csauthors.net:

Bibliography

2024

Database of 4 Million Medicinal Chemistry-Relevant Ring Systems.

[BibT_eX]

[DOI]

J. Chem. Inf. Model., February, 2024

2022

Magic Rings: Navigation in the Ring Chemical Space Guided by the Bioactive Rings.

[BibT_eX]

[DOI]

J. Chem. Inf. Model., 2022

2021

CAVIAR: a method for automatic cavity detection, description and decomposition into subcavities.

[BibT_eX]

[DOI]

Jean-Rémy Marchand

,

,

,

Finton Sirockin

J. Comput. Aided Mol. Des., 2021

2020

Identification of Bioisosteric Substituents by a Deep Neural Network.

[BibT_eX]

[DOI]

J. Chem. Inf. Model., 2020

Craig plot 2.0: an interactive navigation in the substituent bioisosteric space.

[BibT_eX]

[DOI]

J. Cheminformatics, 2020

GEN: highly efficient SMILES explorer using autodidactic generative examination networks.

[BibT_eX]

[DOI]

Ruud van Deursen

,

,

,

Guillaume Godin

J. Cheminformatics, 2020

Artificial intelligence in chemistry and drug design.

[BibT_eX]

[DOI]

,

,

Richard A. Lewis

,

,

,

Nadine Schneider

J. Comput. Aided Mol. Des., 2020

Mikrofluidisches Microarray für die Einzelzellanalyse.

[BibT_eX]

[DOI]

Mario Rothbauer

,

Patrick Schuller

,

,

Heinz D. Wanzenboeck

,

,

Elektrotech. Informationstechnik, 2020

2017

An algorithm to identify functional groups in organic molecules.

[BibT_eX]

[DOI]

J. Cheminformatics, 2017

In silico generation of novel, drug-like chemical matter using the LSTM neural network.

[BibT_eX]

[DOI]

,

,

,

Valery R. Polyakov

CoRR, 2017

2015

Evaluation of a Semi-Automated Workflow for Fragment Growing.

[BibT_eX]

[DOI]

,

J. Chem. Inf. Model., 2015

Wikipedia Chemical Structure Explorer: substructure and similarity searching of molecules from Wikipedia.

[BibT_eX]

[DOI]

,

,

,

Christian Rufener

,

J. Cheminformatics, 2015

2014

Intuitive Ordering of Scaffolds and Scaffold Similarity Searching Using Scaffold Keys.

[BibT_eX]

[DOI]

J. Chem. Inf. Model., 2014

Visualization of chemical space for medicinal chemists.

[BibT_eX]

[DOI]

J. Cheminformatics, 2014

2013

JSME: a free molecule editor in JavaScript.

[BibT_eX]

[DOI]

,

J. Cheminformatics, 2013

2012

The Molecule Cloud - compact visualization of large collections of molecules.

[BibT_eX]

[DOI]

,

J. Cheminformatics, 2012

Gazing into the crystal ball; the future of computer-aided drug design.

[BibT_eX]

[DOI]

,

,

,

,

J. Comput. Aided Mol. Des., 2012

IADE: a system for intelligent automatic design of bioisosteric analogs.

[BibT_eX]

[DOI]

,

J. Comput. Aided Mol. Des., 2012

Natural product-likeness score revisited: an open-source, open-data implementation.

[BibT_eX]

[DOI]

,

Pablo A. Moreno

,

Andreas Truszkowski

,

,

Christoph Steinbeck

BMC Bioinform., 2012

2011

Mining for Bioactive Scaffolds with Scaffold Networks: Improved Compound Set Enrichment from Primary Screening Data.

[BibT_eX]

[DOI]

,

Ansgar Schuffenhauer

,

,

J. Chem. Inf. Model., 2011

Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information.

[BibT_eX]

[DOI]

J. Cheminformatics, 2011

Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information.

[BibT_eX]

[DOI]

J. Comput. Aided Mol. Des., 2011

2010

Compound Set Enrichment: A Novel Approach to Analysis of Primary HTS Data.

[BibT_eX]

[DOI]

,

Hanspeter Gubler

,

Christian N. Parker

,

,

,

,

Ansgar Schuffenhauer

J. Chem. Inf. Model., 2010

Molecular structure input on the web.

[BibT_eX]

[DOI]

J. Cheminformatics, 2010

2009

Microfluidic Systems for Pathogen Sensing: A Review.

[BibT_eX]

[DOI]

Jürgen Mairhofer

,

Kriemhilt Roppert

,

Sensors, 2009

Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions.

[BibT_eX]

[DOI]

,

Ansgar Schuffenhauer

J. Cheminformatics, 2009

Interdigitated impedance sensors for analysis of biological cells in microfluidic biochips.

[BibT_eX]

[DOI]

,

Elektrotech. Informationstechnik, 2009

2008

Natural Product-likeness Score and Its Application for Prioritization of Compound Libraries.

[BibT_eX]

[DOI]

,

,

Ansgar Schuffenhauer

J. Chem. Inf. Model., 2008

2007

The Scaffold Tree - Visualization of the Scaffold Universe by Hierarchical Scaffold Classification.

[BibT_eX]

[DOI]

Ansgar Schuffenhauer

,

,

,

,

,

Herbert Waldmann

J. Chem. Inf. Model., 2007

Clustering and Rule-Based Classifications of Chemical Structures Evaluated in the Biological Activity Space.

[BibT_eX]

[DOI]

Ansgar Schuffenhauer

,

,

,

Jeremy L. Jenkins

,

,

J. Chem. Inf. Model., 2007

Estimation of p<i>K</i><sub>a</sub> for Druglike Compounds Using Semiempirical and Information-Based Descriptors.

[BibT_eX]

[DOI]

Stephen P. Jelfs

,

,

J. Chem. Inf. Model., 2007

2006

Applications of Self-Organizing Neural Networks in Virtual Screening and Diversity Selection.

[BibT_eX]

[DOI]

,

J. Chem. Inf. Model., 2006

Relationships between Molecular Complexity, Biological Activity, and Structural Diversity.

[BibT_eX]

[DOI]

Ansgar Schuffenhauer

,

,

,

,

J. Chem. Inf. Model., 2006

Introducing the Consensus Modeling Concept in Genetic Algorithms: Application to Interpretable Discriminant Analysis.

[BibT_eX]

[DOI]

,

,

Ansgar Schuffenhauer

,

,

Valerie J. Gillet

,

Paulette A. Greenidge

J. Chem. Inf. Model., 2006

2005

Virtual Computational Chemistry Laboratory - Design and Description.

[BibT_eX]

[DOI]

,

Johann Gasteiger

,

Roberto Todeschini

,

,

David J. Livingstone

,

,

Vladimir A. Palyulin

,

Eugene V. Radchenko

,

Nikolai S. Zefirov

,

Alexander S. Makarenko

,

Vsevolod Yu. Tanchuk

,

Volodymyr V. Prokopenko

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.

[BibT_eX]

[DOI]

J. Chem. Inf. Comput. Sci., 2003

2001

Computational Modeling of a Binding Conformation of the Intermediate L-Histidinal to Histidinol Dehydrogenase.

[BibT_eX]

[DOI]

,

,

,

,

J. Chem. Inf. Comput. Sci., 2001

Loading...