Luc Patiny

According to our database, Luc Patiny authored at least 9 papers between 2011 and 2020.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2020

Seized Ecstasy Pills: Infrared Spectra and Image Datasets.

Luc Patiny, Michaël Zasso, Pierre Esseiva, Julien Wist

Data, 2020

2016

"Ask Ernö": a self-learning tool for assignment and prediction of nuclear magnetic resonance spectra.

Andrés M. Castillo, Andrés Bernal, Reiner Dieden, Luc Patiny, Julien Wist

J. Cheminformatics, 2016

2015

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

Peter Ertl, Luc Patiny, Thomas Sander, Christian Rufener, Michaël Zasso

J. Cheminformatics, 2015

PDB-Explorer: a web-based interactive map of the protein data bank in shape space.

Xian Jin, Mahendra Awale, Michaël Zasso, Daniel Kostro, Luc Patiny, Jean-Louis Reymond

BMC Bioinform., 2015

2014

How Accurately Can We Predict the Melting Points of Drug-like Compounds?

Igor V. Tetko, Yurii Sushko, Sergii Novotarskyi, Luc Patiny, Ivan Kondratov, Alexander E. Petrenko, Larisa Charochkina, Abdullah M. Asiri

J. Chem. Inf. Model., 2014

A new method for the comparison of ¹H NMR predictors based on tree-similarity of spectra.

Andrés M. Castillo, Andrés Bernal, Luc Patiny, Julien Wist

J. Cheminformatics, 2014

2013

ChemCalc: A Building Block for Tomorrow's Chemical Infrastructure.

Luc Patiny, Alain Borel

J. Chem. Inf. Model., 2013

2011

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

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

J. Cheminformatics, 2011

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

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

J. Comput. Aided Mol. Des., 2011