"Dissecting Machine-Learning Prediction of Molecular Activity: Is an ..."

Ruifeng Liu et al. (2019)

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DOI: 10.1021/ACS.JCIM.8B00348

access: closed

type: Journal Article

metadata version: 2021-06-01

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  - https://dblp.org/rec/journals/jcisd/LiuWGFW19
Ruifeng Liu, Hao Wang, Kyle P. Glover, Michael G. Feasel, Anders Wallqvist:
Dissecting Machine-Learning Prediction of Molecular Activity: Is an Applicability Domain Needed for Quantitative Structure-Activity Relationship Models Based on Deep Neural Networks? J. Chem. Inf. Model. 59(1): 117-126 (2019)

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