R FiBiCo script for: Targeting bioactive compounds in natural extracts - Development of a comprehensive workflow combining chemical and biological data

Published: 31 March 2020| Version 1 | DOI: 10.17632/9bnss55xpp.1
Contributors:
Catherine Roullier,
lucie ORY

Description

R FiBiCo script related to the publication : "Targeting bioactive compounds in natural extracts - Development of a comprehensive workflow combining chemical and biological data" This bioinformatics script (encoded with R Studio software) is based on the combination of four statistical models (Spearman, F-PCA, PLS, PLS-DA). After uploading a data matrix containing peak area information and associated bioactivity data (originating from a bioactive extract), it allows to generate of a “Super list” of potential bioactive compounds together with a predictive score. After defining the parameters in the first step corresponding to your own data (filepath, number of groups, colours, ..etc), select all lines (CTRL+A or CMD+A) and run all lines (CTRL+Enter).

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