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QSAR & Read Across Utilize QSAR and Read-Across to predict physicochemical properties and toxicity,
and reduce the cost of toxicity testing for new chemical development and chemical registration.

Overview

Quantitative Structure Activity Relationship (QSAR) is a technique that predicts the value of a chemical from the quantitative correlation of its structure, physicochemical properties, and toxicity based on the premise that chemicals with similar structures have similar properties. Read-Across is also a technique that predicts the activity of a target substance due to similarities in the structural, mechanistic, biological, and toxicological properties of similar substances. In the U.S. and Europe, animal testing of chemicals is highly discouraged for animal welfare reasons, and companies have been actively conducting QSAR and Read-Across studies to replace animal testing due to the cost and time required for toxicity testing of a single chemical.

QSAR and read-across are especially important during the preliminary screening of new chemicals for properties and toxicity. In the United States, the Environmental Protection Agency (EPA) has considerable experience and skill in evaluating data submitted using QSARs in lieu of toxicity testing for new chemical registration.

In addition, the REACH (Registration, Evaluation, Authorization of Chemicals) system, which has been in full effect since June 2007 in Europe, includes the use of QSAR and Read-Across in the preparation of physicochemical properties and toxicity information required for the registration of target chemicals, and it is expected that the conservative stance on QSAR and Read-Across will be actively adopted.

The notification on hazard assessment for registration of new chemical substances in Korea also provides for the omission of test results required for registration under the category of "chemical substances that have submitted sufficient data on chemical substances with similar structures."

Physicochemical properties and toxicity

Physicochemical properties
Melting point, boiling point, flash point, vapor pressure. Octanol/water partition coefficient, water solubility, degree of hydrolysis, etc.
Health hazards
Acute toxicity, eye and skin irritation/corrosion, hypersensitivity, carcinogenic, genotoxicity, reproductive toxicity, immunotoxicity, repeated toxicity
Aquatic ecological hazards
Acute aquatic toxicity, chronic aquatic toxicity
Environmental fate index
Bioaccumulative, biodegradable, photodegradable, soil adsorptive property, etc.

Our services

  • Predict physicochemical properties and toxicity using a variety of domestic and international QSARs and read-across
  • Help companies reduce toxicity testing costs for new substance development and chemical registration

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