BCF, a quality screened fish bio-concentration factor, is a gold standard database which was developed from Cefic LRI (project ECO7: “Development of a Reference Database: Bio-concentration Factors BCF”) with the collaboration of EURAS. In particular, the aim of the project was to identify nonbioaccumulative substances (BCF<1000).
The classical approach to derive BCF values (OECD 305 bioconcentration test) is labour intensive, costly and requires a lot of test animals. A database containing only high quality data was lacking. BCF gold standard database is linked with the relational database AMBIT for further (Q)SAR and alternative testing development.
The investigated criteria refer to molecular descriptors that are inherent features of the molecule. The validity of the criteria was investigated using data from the fish BCF gold standard database in AMBIT: (1) average diameter and molecular weight, (2) maximum molecular lenght, (3) log Kow. The descriptors used for cut-off values refinements were mainly: TPSA, A Pol, VAdjMA, HBondAcc as a result of principal component analysis, tree analysis and statistical analysis on errors in prediciton (by minimising the number of false positives and false negatives).
The BCF gold standard database is freely available at http://ambit.sourceforge.net/euras/.
Luhndstedt M. N., Schmallenberg M.M. (2007). Einfluss von Lipophilie und Molekülgrösse auf das Biokonzentrationspotential von Umweltchemikalien. Mitt Umweltchem Ökotox. 13 Jahgr.(3), 68-71.