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High-quality and universal empirical atomic charges for chemoinformatics applications.
Stanislav Geidl
Tomás Bouchal
Tomás Racek
Radka Svobodová Vareková
Václav Hejret
Ales Krenek
Ruben Abagyan
Jaroslav Koca
Published in:
J. Cheminformatics (2015)
Keyphrases
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computational methods
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drug discovery
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theoretical analysis
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image quality
database systems
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machine learning