石油类UVCB物质交叉参照的技术考量

Technical considerations when performing read-across for petroleum UVCBs

UVCB物质是化学结构未知、组分可变、复杂的反应产物或生物材料物质。石油类UVCB是其中典型的代表。虽然其主要成分是碳氢类化合物,但由于异构的多样性,每种成分的精确结构和含量是不确定的。在流程上,这类物质的交叉参照和常规物质遵循类似的步骤。但是由于其特有的复杂特性,这类物质的交叉参照常常需要额外的考虑,包括如何界定相似性、如何寻找类似物、如何论证交叉参照的可行性以及成分间的潜在相互作用等。作为此次交叉参照专题的系列文章,本文旨在帮助理解石油类UVCB类物质进行交叉参照填补数据缺口时面临的关键挑战。

The‘UVCB’are unknown or variable composition,complex reaction products and biological materials.Petroleum is a typical example.Though the major components are hydrocarbon compounds,the exact structure and concentration of each constituent is generally unknown due to its variability on isomer.In general,the workflow of read-across for these types of substances is similar to others.However,due to their complexity,special consideration is generally needed,including but not limited to the steps of defining similarity,searching for similar substances,as well as how to justify a read-across and assess potential interaction among components.The purpose of this paper,the fifth in a series on read-across,is to provide the reader context to understand some of the unique challenges that must be addressed when utilizing read-across to fill data gaps for complex and variable substances.