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"Weighted Averaging Scheme and Local Atomic Descriptor for pKa Prediction ..."

Haoyu S. Yu, Mark A. Watson, Art D. Bochevarov (2018)

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DOI: 10.1021/ACS.JCIM.7B00537

access: closed

type: Journal Article

metadata version: 2021-06-01

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Haoyu S. Yu, Mark A. Watson, Art D. Bochevarov:
Weighted Averaging Scheme and Local Atomic Descriptor for pKa Prediction Based on Density Functional Theory. J. Chem. Inf. Model. 58(2): 271-286 (2018)

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