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Results 1 - 10 of 53  for Great Falls College MSU

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

Sushko, Iurii ; Novotarskyi, Sergii ; Körner, Robert ; Pandey, Anil Kumar ; Rupp, Matthias ; Teetz, Wolfram ; Brandmaier, Stefan ; Abdelaziz, Ahmed ; Prokopenko, Volodymyr V ; Tanchuk, Vsevolod Y ; Todeschini, Roberto ; Varnek, Alexandre ; Marcou, Gilles ; Ertl, Peter ; Potemkin, Vladimir ; Grishina, Maria ; Gasteiger, Johann ; Schwab, Christof ; Baskin, Igor I ; Palyulin, Vladimir A ; Radchenko, Eugene V ; Welsh, William J ; Kholodovych, Vladyslav ; Chekmarev, Dmitriy ; Cherkasov, Artem ; Aires-de-Sousa, Joao ; Zhang, Qing-You ; Bender, Andreas ; Nigsch, Florian ; Patiny, Luc ; Williams, Antony ; Tkachenko, Valery ; Tetko, Igor V

Journal of computer-aided molecular design, 2011, Vol.25 (6), p.533-554 [Peer Reviewed Journal]

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2
EcoScale, a semi-quantitative tool to select an organic preparation based on economical and ecological parameters
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EcoScale, a semi-quantitative tool to select an organic preparation based on economical and ecological parameters

Van Aken, Koen ; Strekowski, Lucjan ; Patiny, Luc

Beilstein journal of organic chemistry, 2006, Vol.2 (1), p.3-3 [Peer Reviewed Journal]

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3
Improving the efficiency of branch-and-bound complete-search NMR assignment using the symmetry of molecules and spectra
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Improving the efficiency of branch-and-bound complete-search NMR assignment using the symmetry of molecules and spectra

Bernal, Andrés ; Castillo, Andrés M ; González, Fabio ; Patiny, Luc ; Wist, Julien

The Journal of chemical physics, 2015-02-21, Vol.142 (7), p.074103 [Peer Reviewed Journal]

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4
Wikipedia Chemical Structure Explorer: substructure and similarity searching of molecules from Wikipedia
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Wikipedia Chemical Structure Explorer: substructure and similarity searching of molecules from Wikipedia

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

Journal of cheminformatics, 2015, Vol.7 (1), p.10-10 [Peer Reviewed Journal]

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5
Monitoring of illicit pill distribution networks using an image collection exploration framework
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Monitoring of illicit pill distribution networks using an image collection exploration framework

Camargo, Jorge ; Esseiva, Pierre ; González, Fabio ; Wist, Julien ; Patiny, Luc

Forensic Science International, 2012, Vol.223 (1), p.298-305 [Peer Reviewed Journal]

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6
Bioluminescent sensor proteins for point-of-care therapeutic drug monitoring
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Bioluminescent sensor proteins for point-of-care therapeutic drug monitoring

Griss, Rudolf ; Schena, Alberto ; Reymond, Luc ; Patiny, Luc ; Werner, Dominique ; Tinberg, Christine E ; Baker, David ; Johnsson, Kai

Nature chemical biology, 2014-07, Vol.10 (7), p.598-603 [Peer Reviewed Journal]

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7
“Ask Ernö”: a self-learning tool for assignment and prediction of nuclear magnetic resonance spectra
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“Ask Ernö”: a self-learning tool for assignment and prediction of nuclear magnetic resonance spectra

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

Journal of cheminformatics, 2016, Vol.8 (1), p.1-8 [Peer Reviewed Journal]

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8
ChemCalc: A Building Block for Tomorrow’s Chemical Infrastructure
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ChemCalc: A Building Block for Tomorrow’s Chemical Infrastructure

Patiny, Luc ; Borel, Alain

Journal of Chemical Information and Modeling, 2013-05-24, Vol.53 (5), p.1223-1228 [Peer Reviewed Journal]

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9
How Accurately Can We Predict the Melting Points of Drug-like Compounds?
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How Accurately Can We Predict the Melting Points of Drug-like Compounds?

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

Journal of Chemical Information and Modeling, 2014-12-22, Vol.54 (12), p.3320-3329 [Peer Reviewed Journal]

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10
Versatile Tool for the Analysis of Metal–Protein Interactions Reveals the Promiscuity of Metallodrug–Protein Interactions
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Versatile Tool for the Analysis of Metal–Protein Interactions Reveals the Promiscuity of Metallodrug–Protein Interactions

Lee, Ronald F. S ; Menin, Laure ; Patiny, Luc ; Ortiz, Daniel ; Dyson, Paul J

Analytical Chemistry, 2017-11-21, Vol.89 (22), p.11985-11989 [Peer Reviewed Journal]

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