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Results 1 - 10 of 16  for Great Falls College MSU

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1
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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2
Modeling of non-additive mixture properties using the Online CHEmical database and Modeling environment (OCHEM)
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Modeling of non-additive mixture properties using the Online CHEmical database and Modeling environment (OCHEM)

Oprisiu, Ioana ; Novotarskyi, Sergii ; Tetko, Igor V

Journal of cheminformatics, 2013-01-15, Vol.5 (1), p.4-4 [Peer Reviewed Journal]

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3
Chemogenomic approach to increase accuracy of QSAR modeling of inhibition activity against five major P450 isoforms
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Chemogenomic approach to increase accuracy of QSAR modeling of inhibition activity against five major P450 isoforms

Novotarskyi, Sergii ; Sushko, Iurii ; Koerner, Robert ; Tetko, Igor V

Journal of cheminformatics, 2013-03, Vol.5 (S1), p.P23-P23 [Peer Reviewed Journal]

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4
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, 2011-06-10, Vol.25 (6), p.533-554 [Peer Reviewed Journal]

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5
Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set
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Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set

Sushko, Iurii ; Novotarskyi, Sergii ; Körner, Robert ; Pandey, Anil Kumar ; Cherkasov, Artem ; Li, Jiazhong ; Gramatica, Paola ; Hansen, Katja ; Schroeter, Timon ; Müller, Klaus-Robert ; Xi, Lili ; Liu, Huanxiang ; Yao, Xiaojun ; Öberg, Tomas ; Hormozdiari, Farhad ; Dao, Phuong ; Sahinalp, Cenk ; Todeschini, Roberto ; Polishchuk, Pavel ; Artemenko, Anatoliy ; Kuz’min, Victor ; Martin, Todd M ; Young, Douglas M ; Fourches, Denis ; Muratov, Eugene ; Tropsha, Alexander ; Baskin, Igor ; Horvath, Dragos ; Marcou, Gilles ; Muller, Christophe ; Varnek, Alexander ; Prokopenko, Volodymyr V ; Tetko, Igor V

Journal of chemical information and modeling, 2010-12-27, Vol.50 (12), p.2094-2111 [Peer Reviewed Journal]

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6
Development of Dimethyl Sulfoxide Solubility Models Using 163 000 Molecules: Using a Domain Applicability Metric to Select More Reliable Predictions
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Development of Dimethyl Sulfoxide Solubility Models Using 163 000 Molecules: Using a Domain Applicability Metric to Select More Reliable Predictions

Tetko, Igor V ; Novotarskyi, Sergii ; Sushko, Iurii ; Ivanov, Vladimir ; Petrenko, Alexander E ; Dieden, Reiner ; Lebon, Florence ; Mathieu, Benoit

Journal of chemical information and modeling, 2013-08-26, Vol.53 (8), p.1990-2000 [Peer Reviewed Journal]

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7
A comparison of different QSAR approaches to modeling CYP450 1A2 inhibition
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A comparison of different QSAR approaches to modeling CYP450 1A2 inhibition

Novotarskyi, Sergii ; Sushko, Iurii ; Körner, Robert ; Pandey, Anil Kumar ; Tetko, Igor V

Journal of chemical information and modeling, 2011-06-27, Vol.51 (6), p.1271-1280 [Peer Reviewed Journal]

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8
Classification of CYP450 1A2 inhibitors using PubChem data
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Classification of CYP450 1A2 inhibitors using PubChem data

Novotarskyi, Sergii ; Sushko, Iurii ; Körner, R ; Pandey, AK ; Tetko, Igor

Journal of cheminformatics, 2010-05, Vol.2 (S1), p.1-1 [Peer Reviewed Journal]

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9
Prediction-driven matched molecular pairs to interpret QSARs and aid the molecular optimization process
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Prediction-driven matched molecular pairs to interpret QSARs and aid the molecular optimization process

Sushko, Yurii ; Novotarskyi, Sergii ; Körner, Robert ; Vogt, Joachim ; Abdelaziz, Ahmed ; Tetko, Igor V

Journal of cheminformatics, 2014-12-11, Vol.6 (1), p.1-18 [Peer Reviewed Journal]

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10
Applicability domain for in silico models to achieve accuracy of experimental measurements
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Applicability domain for in silico models to achieve accuracy of experimental measurements

Sushko, Iurii ; Novotarskyi, Sergii ; Körner, Robert ; Pandey, Anil Kumar ; Kovalishyn, Vasily V ; Prokopenko, Volodymyr V ; Tetko, Igor V

Journal of chemometrics, 2010-03, Vol.24 (3‐4), p.202-208

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  1. Peer-reviewed Journals (14)

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