Open AccessIn Silico Structure Predictions for Non-targeted Analysis: From Physicochemical Properties to Molecular Structures
Author(s) -
Dimitri Abrahamsson,
Adi Siddharth,
Thomas M. Young,
Marina Sirota,
June-Soo Park,
Jonathan W. Martin,
Tracey J. Woodruff
Publication year - 2022
Publication title -
journal of the american society for mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.961
H-Index - 127
eISSN - 1879-1123
pISSN - 1044-0305
DOI - 10.1021/jasms.1c00386
Subject(s) - chemistry , in silico , computational biology , molecular dynamics , nanotechnology , computational chemistry , biochemistry , gene , biology , materials science
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