The METLIN small molecule dataset for machine learning-based retention time prediction 论文

2019Nature Communications引用 230顶会
DOIPDF
Metabolomics and Mass Spectrometry StudiesComputational Drug Discovery MethodsAnalytical Chemistry and Chromatography
Computational Drug Discovery MethodsAnalytical Chemistry and ChromatographyMetabolomics and Mass Spectrometry Studies
相关技术:Computational Drug Discovery Methods
关系图谱

The METLIN small molecule dataset for machine learning-based retention time prediction · 作者

G

Gary Siuzdak

H

H. Paul Benton

E

Emily Chen

A

Aries Aisporna

W

Winnie Uritboonthai

J

J. Rafael Montenegro-Burke

E

Elizabeth Billings

C

Carlos Guijas

X

Xavier Domingo-Almenara