Figure 4

A diagram depicting the steps in the creation of the transporter substrate dataset. The first version of MBTPsubDS was generated using an in-house Python script to process the data retrieved from Metrabase. Mixtures, metal-, metalloid- and selenium- containing compounds and polymers were identified using the metrabase.cmpd_types table and compounds with molecular mass >1 kDa were identified using the metrabase.properties table.