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"MolGpka: A Web Server for Small Molecule pKa Prediction Using a ..."

Xiaolin Pan et al. (2021)

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DOI: 10.1021/ACS.JCIM.1C00075

access: closed

type: Journal Article

metadata version: 2022-06-23

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  - https://dblp.org/rec/journals/jcisd/PanWLZJ21
Xiaolin Pan, Hao Wang, Cuiyu Li, John Z. H. Zhang, Changge Ji:
MolGpka: A Web Server for Small Molecule pKa Prediction Using a Graph-Convolutional Neural Network. J. Chem. Inf. Model. 61(7): 3159-3165 (2021)

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