Luc Patiny

Publication Activity (10 Years)

Years Active: 2011-2020
Publications (10 Years): 2

Top Topics

Chemical Compounds

Nuclear Magnetic Resonance

Similarity Searching

Top Venues

J. Cheminformatics

J. Chem. Inf. Model.

Publications

Luc Patiny, Michaël Zasso, Pierre Esseiva, Julien Wist
Seized Ecstasy Pills: Infrared Spectra and Image Datasets. Data 5 (4) (2020)
Andrés M. Castillo, Andrés Bernal, Reiner Dieden, Luc Patiny, Julien Wist
"Ask Ernö": a self-learning tool for assignment and prediction of nuclear magnetic resonance spectra. J. Cheminformatics 8 (1) (2016)
Xian Jin, Mahendra Awale, Michaël Zasso, Daniel Kostro, Luc Patiny, Jean-Louis Reymond
PDB-Explorer: a web-based interactive map of the protein data bank in shape space. BMC Bioinform. 16 (2015)
Peter Ertl, Luc Patiny, Thomas Sander, Christian Rufener, Michaël Zasso
Wikipedia Chemical Structure Explorer: substructure and similarity searching of molecules from Wikipedia. J. Cheminformatics 7 (2015)
Andrés M. Castillo, Andrés Bernal, Luc Patiny, Julien Wist
H NMR predictors based on tree-similarity of spectra. J. Cheminformatics 6 (1) (2014)
Igor V. Tetko, Yurii Sushko, Sergii Novotarskyi, Luc Patiny, Ivan Kondratov, Alexander E. Petrenko, Larisa Charochkina, Abdullah M. Asiri
How Accurately Can We Predict the Melting Points of Drug-like Compounds? J. Chem. Inf. Model. 54 (12) (2014)
Luc Patiny, Alain Borel
ChemCalc: A Building Block for Tomorrow's Chemical Infrastructure. J. Chem. Inf. Model. 53 (5) (2013)
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 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
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information. J. Cheminformatics 3 (S-1) (2011)
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 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
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information. J. Comput. Aided Mol. Des. 25 (6) (2011)