"Scalable estimator of the diversity for de novo molecular generation ..."

Jules Leguy et al. (2021)

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DOI: 10.1186/S13321-021-00554-8

access: open

type: Journal Article

metadata version: 2021-11-03

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Jules Leguy, Marta Glavatskikh, Thomas Cauchy, Benoit Da Mota:
Scalable estimator of the diversity for de novo molecular generation resulting in a more robust QM dataset (OD9) and a more efficient molecular optimization. J. Cheminformatics 13(1): 76 (2021)

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