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Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices.
Igor V. Tetko
Vsevolod Yu. Tanchuk
Tamara N. Kasheva
Alessandro E. P. Villa
Published in:
J. Chem. Inf. Comput. Sci. (2001)
Keyphrases
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chemical compounds
drug discovery
data structure
graph kernels