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"Dissecting Machine-Learning Prediction of Molecular Activity: Is an ..."
Ruifeng Liu et al. (2019)
- 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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