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"Prediction of n-octanol/water partition coefficients and acidity constants ..."

Antonio Viayna et al. (2021)

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DOI: 10.1007/S10822-021-00394-6

access: open

type: Journal Article

metadata version: 2023-02-28

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  - journals/jcamd/ViaynaPCLZ21
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  - https://dblp.org/rec/journals/jcamd/ViaynaPCLZ21
Antonio Viayna, Silvana Pinheiro, Carles Curutchet, F. Javier Luque, William J. Zamora:
Prediction of n-octanol/water partition coefficients and acidity constants (pK_a) in the SAMPL7 blind challenge with the IEFPCM-MST model. J. Comput. Aided Mol. Des. 35(7): 803-811 (2021)

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