摘要：Mutagenicity and carcinogenicity databases are crucial resources for toxicologists and
regulators involved in chemicals risk assessment. Until recently, existing public toxicity databases
have been constructed primarily as “look-up-tables” of existing data, and most often did not contain
chemical structures. Concepts and technologies originated from the structure-activity relationships
science have provided powerful tools to create new types of databases, where the effective linkage of
chemical toxicity with chemical structure can facilitate and greatly enhance data gathering and hypothesis
generation, by permitting: a) exploration across both chemical and biological domains; and
b) structure-searchability through the data. This paper reviews the main public databases, together
with the progress in the field of chemical relational databases, and presents the ISSCAN database
on experimental chemical carcinogens.
关键词：database, mutagenicity, carcinogenicity, chemical structure.
