MACAW: An Accessible Tool for Molecular Embedding and Inverse Molecular Design

Blay, Vincent; Radivojevic, Tijana; Allen, Jonathan E.; Hudson, Corey M.; Garcia Martin, Hector

doi:10.1021/acs.jcim.2c00229

Title: MACAW: An Accessible Tool for Molecular Embedding and Inverse Molecular Design

Journal Article · 20 July 2022 · Journal of Chemical Information and Modeling

DOI: https://doi.org/10.1021/acs.jcim.2c00229 · OSTI ID:1876913

^[1]; Radivojevic, Tijana ^[2];

^[3];

^[4];

^[2]

Biological Systems and Engineering Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States, Biofuels and Bioproducts Division, DOE Joint BioEnergy Institute, Emeryville, California 94608, United States
Biological Systems and Engineering Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States, Biofuels and Bioproducts Division, DOE Joint BioEnergy Institute, Emeryville, California 94608, United States, DOE Agile BioFoundry, Emeryville, California 94608, United States
Global Security Computing Applications, Lawrence Livermore National Laboratory, Livermore, California 94550, United States
Sandia National Laboratories, Livermore, California 94550, United States

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Sponsoring Organization:: USDOE

Grant/Contract Number:: NA0003525; AC02-05CH11231

OSTI ID:: 1876913

Journal Information:: Journal of Chemical Information and Modeling, Journal Name: Journal of Chemical Information and Modeling Journal Issue: 15 Vol. 62; ISSN 1549-9596

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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