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The goal of this project is to generate a linear regression model that accepts ChEMBL inhibitor data for a target of interest as input and produces inhibitor bioactivity predictions with respect to the specified target as output.
Source code and data for "Exploring the known chemical space of the plant kingdom: Insights into taxonomic patterns, knowledge gaps, and bioactive regions"
DAFdiscovery is meant to disseminate STOCSY calculation for NP scientists to enable data fusion and discovery of compounds of interest from correlation calculations. The use of .csv files is meant to enable users to use their methods of choice for (MS and/or NMR) data processing.