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"Permutationally Invariant Deep Learning Approach to Molecular ..."

Andrei Buin et al. (2021)

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DOI: 10.1021/ACS.JCIM.0C01097

access: closed

type: Journal Article

metadata version: 2021-03-23

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Andrei Buin, Hung Yi Chiang, S. Andrew Gadsden, Faraz A. Alderson:
Permutationally Invariant Deep Learning Approach to Molecular Fingerprinting with Application to Compound Mixtures. J. Chem. Inf. Model. 61(2): 631-640 (2021)

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