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Predicting pK a values from EEM atomic charges

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Bibliographic Details
Published in:Journal of cheminformatics 2013-04, Vol.5 (1), Article 18
Main Authors: Vařeková, Radka Svobodová, Geidl, Stanislav, Ionescu, Crina-Maria, Skřehota, Ondřej, Bouchal, Tomáš, Sehnal, David, Abagyan, Ruben, Koča, Jaroslav
Format: Article
Language:English
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ISSN:1758-2946
1758-2946
DOI:10.1186/1758-2946-5-18