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Analyzing Learned Molecular Representations for Property Prediction
Work
Year: 2019
Type: article
Abstract: Advancements in neural machinery have led to a wide range of algorithmic solutions for molecular property prediction. Two classes of models in particular have yielded promising results: neural network... more
Source: Journal of Chemical Information and Modeling
Authors Kevin Yang, Kyle Swanson, Wengong Jin, Connor W. Coley, Philipp Eiden +10 more
Institutions IIT@MIT, BASF (Germany), Amgen (United States), Novartis (United States)
Cites: 54
Cited by: 1,199
Related to: 10
FWCI: 40.87
Citation percentile (by year/subfield): 100
Topic: Machine Learning in Materials Science
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Sustainable Development Goal Industry, innovation and infrastructure
Open Access status: hybrid
Funders Amgen, Novartis, BASF, Massachusetts Institute of Technology, Defense Advanced Research Projects Agency