Generating Molecular Fragmentation Graphs with Autoregressive Neural Networks-Reference-Cited by-同舟云学术

Generating Molecular Fragmentation Graphs with Autoregressive Neural Networks

Author:

Goldman Samuel¹^ORCID,Li Janet²,Coley Connor W.³⁴^ORCID

Affiliation:

1. Computational and Systems Biology, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States

2. Harvard College, Harvard University, Cambridge, Massachusetts 02138, United States

3. Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States

4. Department of Electrical Engineering and Computer Science, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States

Funder

Massachusetts Institute of Technology

Machine Learning for Pharmaceutical Discovery and Synthesis consortium

Publisher

American Chemical Society (ACS)

Link

Reference49 articles.

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