QSPR models for bioconcentration factor (BCF): Are they able to predict data of industrial interest?

This dataset is described and studied in the article "QSPR models for bioconcentration factor (BCF): Are they able to predict data of industrial interest?" published in <em>SAR and QSAR Environmental Research</em> (Taylor&amp;Francis). Files description: SI_BCFtrainset.xlsx: a collection of 1129 chemical structures and CAS identifiers with their logBCF values extracted from various literature sources. SI_BCFtestset.xlsx: a collection of 204 chemical structures for which the logBCF is considered of lower reliability and used as an external test set. SI_FullDataset_rawdata.csv: the raw data composed of 15372 entries with the following columns: CASRN, Tissue, Duration [d], Test organism, Exposure type, Steady state, RESPONSE, RESPONSE UNIT, Media type, TakenFrom, TITLE, AUTHOR, YEAR, SOURCE, SMILES SI_ExcludedOutliers34.csv: 34 chemical structures that have been identified as suspicious during analysis.