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2020 – today
- 2020
[j9]Luc Patiny
, Michaël Zasso, Pierre Esseiva, Julien Wist:
Seized Ecstasy Pills: Infrared Spectra and Image Datasets. Data 5(4): 116 (2020)
2010 – 2019
- 2016
- [j8]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): 26:1-26:8 (2016) - 2015
- [j7]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: 339:1-339:15 (2015) - [j6]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: 10 (2015) - 2014
- [j5]Andrés M. Castillo, Andrés Bernal, Luc Patiny, Julien Wist:
A new method for the comparison of 1H NMR predictors based on tree-similarity of spectra. J. Cheminformatics 6(1): 9 (2014) - [j4]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): 3320-3329 (2014) - 2013
- [j3]Luc Patiny, Alain Borel:
ChemCalc: A Building Block for Tomorrow's Chemical Infrastructure. J. Chem. Inf. Model. 53(5): 1223-1228 (2013) - 2011
- [j2]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:
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information. J. Comput. Aided Mol. Des. 25(6): 533-554 (2011) - [j1]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:
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information. J. Cheminformatics 3(S-1): 20 (2011)
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