Supervised topic modeling for predicting molecular substructure from mass spectrometry
نویسندگان
چکیده
منابع مشابه
Ms2lda.org: web-based topic modelling for substructure discovery in mass spectrometry
Motivation We recently published MS2LDA, a method for the decomposition of sets of molecular fragment data derived from large metabolomics experiments. To make the method more widely available to the community, here we present ms2lda.org, a web application that allows users to upload their data, run MS2LDA analyses and explore the results through interactive visualisations. Results Ms2lda.org...
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ژورنال
عنوان ژورنال: F1000Research
سال: 2021
ISSN: 2046-1402
DOI: 10.12688/f1000research.52549.1