Peter Ertl - RankMe

40 papers Journal 40

Year	Rank	Type	Title / Venue / Authors
2026	J	`jnl`	Molecules in Wikipedia: Analysis of Their Chemical Diversity, Functional Roles, and Popularity. J. Chem. Inf. Model. Peter Ertl
2024	J	`jnl`	Database of 4 Million Medicinal Chemistry-Relevant Ring Systems. J. Chem. Inf. Model. Peter Ertl
2024	J	`jnl`	MELLODDY: Cross-pharma Federated Learning at Unprecedented Scale Unlocks Benefits in QSAR without Compromising Proprietary Information. J. Chem. Inf. Model. Wouter Heyndrickx, Lewis H. Mervin, Tobias Morawietz, Noé Sturm, Lukas Friedrich, Adam Zalewski, Anastasia Pentina, Lina Humbeck, Martijn Oldenhof, Ritsuya Niwayama, Peter Schmidtke, Nikolas Fechner, Jaak Simm, Adam Arany, Nicolas Drizard, Rama Jabal, Arina Afanasyeva, Regis Loeb, Shlok Verma, Simon Harnqvist, Matthew Holmes, Balazs Pejo, Maria Telenczuk, Nicholas Holway, Arne Dieckmann, Nicola Rieke, Friederike Zumsande, Djork-Arné Clevert, Michael Krug, Christopher N. Luscombe, Darren V. S. Green, Peter Ertl, Peter Antal, David Marcus, Nicolas Do Huu, Hideyoshi Fuji, Stephen D. Pickett, Gergely Ács, Eric Boniface, Bernd Beck, Yax Sun, Arnaud Gohier, Friedrich Rippmann, Ola Engkvist, Andreas H. Göller, Yves Moreau, Mathieu N. Galtier, Ansgar Schuffenhauer, Hugo Ceulemans
2022	J	`jnl`	Magic Rings: Navigation in the Ring Chemical Space Guided by the Bioactive Rings. J. Chem. Inf. Model. Peter Ertl
2021	J	`jnl`	CAVIAR: a method for automatic cavity detection, description and decomposition into subcavities. J. Comput. Aided Mol. Des. Jean-Rémy Marchand, Bernard Pirard, Peter Ertl, Finton Sirockin
2020	J	`jnl`	Artificial intelligence in chemistry and drug design. J. Comput. Aided Mol. Des. Nathan Brown, Peter Ertl, Richard A. Lewis, Torsten Luksch, Daniel Reker, Nadine Schneider
2020	J	`jnl`	Craig plot 2.0: an interactive navigation in the substituent bioisosteric space. J. Cheminformatics Peter Ertl
2020	J	`jnl`	GEN: highly efficient SMILES explorer using autodidactic generative examination networks. J. Cheminformatics Ruud van Deursen, Peter Ertl, Igor V. Tetko, Guillaume Godin
2020	J	`jnl`	Identification of Bioisosteric Substituents by a Deep Neural Network. J. Chem. Inf. Model. Peter Ertl
2020	J	`jnl`	Mikrofluidisches Microarray für die Einzelzellanalyse. Elektrotech. Informationstechnik Mario Rothbauer, Patrick Schuller, Reza Afkhami, Heinz D. Wanzenboeck, Peter Ertl, Helene Zirath
2019	J	`jnl`	GEN: Highly Efficient SMILES Explorer Using Autodidactic Generative Examination Networks. CoRR Ruud van Deursen, Peter Ertl, Igor V. Tetko, Guillaume Godin
2017	J	`jnl`	An algorithm to identify functional groups in organic molecules. J. Cheminformatics Peter Ertl
2017	J	`jnl`	In silico generation of novel, drug-like chemical matter using the LSTM neural network. CoRR Peter Ertl, Richard Lewis, Eric J. Martin, Valery R. Polyakov
2015	J	`jnl`	Evaluation of a Semi-Automated Workflow for Fragment Growing. J. Chem. Inf. Model. Bernard Pirard, Peter Ertl
2015	J	`jnl`	Wikipedia Chemical Structure Explorer: substructure and similarity searching of molecules from Wikipedia. J. Cheminformatics Peter Ertl, Luc Patiny, Thomas Sander, Christian Rufener, Michaël Zasso
2014	J	`jnl`	Intuitive Ordering of Scaffolds and Scaffold Similarity Searching Using Scaffold Keys. J. Chem. Inf. Model. Peter Ertl
2014	J	`jnl`	Visualization of chemical space for medicinal chemists. J. Cheminformatics Peter Ertl
2013	J	`jnl`	JSME: a free molecule editor in JavaScript. J. Cheminformatics Bruno Bienfait, Peter Ertl
2012	J	`jnl`	Gazing into the crystal ball; the future of computer-aided drug design. J. Comput. Aided Mol. Des. Eric J. Martin, Peter Ertl, Peter Hunt, José S. Duca, Richard Lewis
2012	J	`jnl`	IADE: a system for intelligent automatic design of bioisosteric analogs. J. Comput. Aided Mol. Des. Peter Ertl, Richard Lewis
2012	J	`jnl`	Natural product-likeness score revisited: an open-source, open-data implementation. BMC Bioinform. Kalai Vanii, Pablo A. Moreno, Andreas Truszkowski, Peter Ertl, Christoph Steinbeck
2012	J	`jnl`	The Molecule Cloud - compact visualization of large collections of molecules. J. Cheminformatics Peter Ertl, Bernhard Rohde
2011	J	`jnl`	Mining for Bioactive Scaffolds with Scaffold Networks: Improved Compound Set Enrichment from Primary Screening Data. J. Chem. Inf. Model. Thibault Varin, Ansgar Schuffenhauer, Peter Ertl, Steffen Renner
2011	J	`jnl`	Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information. J. Comput. Aided Mol. Des. Iurii Sushko, Sergii Novotarskyi, Robert Körner, Anil Kumar Pandey, Matthias Rupp, Wolfram Teetz, Stefan Brandmaier, Ahmed Abdelaziz, Volodymyr V. Prokopenko, Vsevolod Yu. Tanchuk, Roberto Todeschini, Alexandre Varnek, Gilles Marcou, Peter Ertl, Vladimir Potemkin, Maria A. Grishina, Johann Gasteiger, Christof H. Schwab, Igor I. Baskin, Vladimir A. Palyulin, Eugene V. Radchenko, William J. Welsh, Vladyslav V. Kholodovych, Dmitriy Chekmarev, Artem Cherkasov, João Aires-de-Sousa, Qing-You Zhang, Andreas Bender, Florian Nigsch, Luc Patiny, Antony J. Williams, Valery Tkachenko, Igor V. Tetko
2011	J	`jnl`	Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information. J. Cheminformatics Iurii Sushko, Anil Kumar Pandey, Sergii Novotarskyi, Robert Körner, Matthias Rupp, Wolfram Teetz, Stefan Brandmaier, Ahmed Abdelaziz, Volodymyr V. Prokopenko, Vsevolod Yu. Tanchuk, Roberto Todeschini, Alexandre Varnek, Gilles Marcou, Peter Ertl, Vladimir Potemkin, Maria A. Grishina, Johann Gasteiger, Igor I. Baskin, Vladimir A. Palyulin, Eugene V. Radchenko, William J. Welsh, Vladyslav V. Kholodovych, Dmitriy Chekmarev, Artem Cherkasov, João Aires-de-Sousa, Qing-You Zhang, Andreas Bender, Florian Nigsch, Luc Patiny, Antony J. Williams, Valery Tkachenko, Igor V. Tetko
2010	J	`jnl`	Compound Set Enrichment: A Novel Approach to Analysis of Primary HTS Data. J. Chem. Inf. Model. Thibault Varin, Hanspeter Gubler, Christian N. Parker, Ji-Hu Zhang, Pichai Raman, Peter Ertl, Ansgar Schuffenhauer
2010	J	`jnl`	Molecular structure input on the web. J. Cheminformatics Peter Ertl
2009	J	`jnl`	Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions. J. Cheminformatics Peter Ertl, Ansgar Schuffenhauer
2009	J	`jnl`	Interdigitated impedance sensors for analysis of biological cells in microfluidic biochips. Elektrotech. Informationstechnik Peter Ertl, Rudolf Heer
2009	J	`jnl`	Microfluidic Systems for Pathogen Sensing: A Review. Sensors Jürgen Mairhofer, Kriemhilt Roppert, Peter Ertl
2008	J	`jnl`	Natural Product-likeness Score and Its Application for Prioritization of Compound Libraries. J. Chem. Inf. Model. Peter Ertl, Silvio Roggo, Ansgar Schuffenhauer
2007	J	`jnl`	Clustering and Rule-Based Classifications of Chemical Structures Evaluated in the Biological Activity Space. J. Chem. Inf. Model. Ansgar Schuffenhauer, Nathan Brown, Peter Ertl, Jeremy L. Jenkins, Paul Selzer, Jacques Hamon
2007	J	`jnl`	Estimation of p J. Chem. Inf. Model. Stephen P. Jelfs, Peter Ertl, Paul Selzer
2007	J	`jnl`	The Scaffold Tree - Visualization of the Scaffold Universe by Hierarchical Scaffold Classification. J. Chem. Inf. Model. Ansgar Schuffenhauer, Peter Ertl, Silvio Roggo, Stefan Wetzel, Marcus A. Koch, Herbert Waldmann
2006	J	`jnl`	Applications of Self-Organizing Neural Networks in Virtual Screening and Diversity Selection. J. Chem. Inf. Model. Paul Selzer, Peter Ertl
2006	J	`jnl`	Introducing the Consensus Modeling Concept in Genetic Algorithms: Application to Interpretable Discriminant Analysis. J. Chem. Inf. Model. Milan Ganguly, Nathan Brown, Ansgar Schuffenhauer, Peter Ertl, Valerie J. Gillet, Paulette A. Greenidge
2006	J	`jnl`	Relationships between Molecular Complexity, Biological Activity, and Structural Diversity. J. Chem. Inf. Model. Ansgar Schuffenhauer, Nathan Brown, Paul Selzer, Peter Ertl, Edgar Jacoby
2005	J	`jnl`	Virtual Computational Chemistry Laboratory - Design and Description. J. Comput. Aided Mol. Des. Igor V. Tetko, Johann Gasteiger, Roberto Todeschini, Andrea Mauri, David J. Livingstone, Peter Ertl, Vladimir A. Palyulin, Eugene V. Radchenko, Nikolai S. Zefirov, Alexander S. Makarenko, Vsevolod Yu. Tanchuk, Volodymyr V. Prokopenko
2003	J	`jnl`	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. Peter Ertl
2001	J	`jnl`	Computational Modeling of a Binding Conformation of the Intermediate L-Histidinal to Histidinol Dehydrogenase. J. Chem. Inf. Comput. Sci. Keigo Gohda, Daisaku Ohta, Genji Iwasaki, Peter Ertl, Olivier Jacob