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It is a type of "Quantitative Structure-Activity Relationship (QSAR)" software developed in collaboration between MultiCASE and the FDA/CDER, which predicts toxicity from the 2D structural information of compounds. CASE Ultra has two complementary types of (Q)SAR models: knowledge (rule)-based and statistical-based, and it is capable of complying with ICH M7. Additionally, it allows for the creation of new predictive models using proprietary data and the enhancement of existing predictive models. 【Features】 ■ Joint research and development with FDA/CDER ■ Alternative to cell tests and animal experiments ■ Provides analogs based on alert surrounding structural environments ■ Supports expert judgment ■ Lead across 【Predictable Endpoints】 - Mutagenicity - Genotoxicity - Carcinogenicity - Hepatotoxicity - Nephrotoxicity - Cardiotoxicity - Dermal and ocular toxicity - Reproductive and developmental toxicity - Acute toxicity - Ecotoxicity - Endocrine receptor binding and many more.

QSAR Flex enables the prediction of complex toxicity using quantitative structure-activity relationships (QSAR) and read-across methods. In particular, the following models can be utilized to support the carcinogenicity assessment of nitrosamines: - Support for AI value evaluation based on CPCA - Support for AI value estimation through read-across - Prediction of nitrosamine generation from compounds and synthetic pathways Various methods for evaluating nitrosamines can be conducted solely with QSAR Flex.

ToxPlanet is an integrated search platform that encompasses toxicity and hazard information for chemical substances. It features an intuitive interface and covers information on over 110 million compounds from more than 1,300 data collections, over 700 regulatory and advisory lists, and more than 10 million literature references. By obtaining comprehensive toxicity and hazard information for chemical substances from a single search key, it reduces investigation time and workload in safety research and risk assessment tasks, while enhancing the quality of the investigation.