Toxicity prediction QSAR software "CASE Ultra"
Toxicity prediction from compound structural information! - Compliant with ICH M7 guidelines for food health impact assessment -
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.
basic information
Operating Environment - OS: Windows 10/11, Server OS from Windows Server 2008 R2 onwards. Both Japanese/English (64bit) - CPU: Intel Core i series or compatible series (recommended: 8th generation Intel Core i series or later) - HDD/SSD: At least 120GB of free space (recommended: SSD) - RAM: At least 2GB of free space (recommended: 16GB RAM) - Monitor: High resolution of 1280×720 or higher (recommended: 1920×1080 or higher)
Price information
Please feel free to contact us.
Delivery Time
Applications/Examples of results
【Purpose】 ◆ Impurity management in ICH M7 ◆ Screening of candidate compounds ◆ Weight of evidence for various toxicities ◆ Food health impact assessment * For more details, please refer to the PDF materials or feel free to contact us. 【Examples of Achievements】 ◆ Regulatory authorities both domestic and international, including the FDA ◆ Major pharmaceutical, chemical, food, and cosmetics companies
Line up（1）
| Model number | overview |
|---|---|
| Mutagenicity Prediction Model | A statistical and knowledge-based prediction model based on OECD Test Guideline 471 |
catalog（3）
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News about this product（2）
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[Currently Held] Japan Process Chemistry Society 2025 Summer Symposium Exhibition
We will be exhibiting at the "Japan Process Chemistry Society 2025 Summer Symposium" to be held on July 24 and 25, 2025. The main products on display are as follows: - ICH-M7 compliant toxicity and ADME prediction software 'CASE Ultra' - Nitrosamine evaluation support software 'QSAR Flex' - Toxicity information search platform 'ToxPlanet' - Cloud-based electronic lab notebook (ELN) 'Labstep' - Experimental design and optimization software 'MODDE' - Multivariate analysis software 'SIMCA' - Multivariate process management software 'SIMCA-online' Please be sure to stop by when you attend.
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[End] Notice of Participation in the 52nd Annual Meeting of the Japanese Society of Toxicology
We will be exhibiting at the 52nd Annual Meeting of the Japanese Society of Toxicology. The main products on display are as follows: - ICH-M7 compliant toxicity and ADME prediction software 'CASE Ultra' - Nitrosamine evaluation support software 'QSAR Flex' - Toxicity information search platform 'ToxPlanet' - Cloud-based electronic lab notebook (ELN) 'Labstep' Please be sure to stop by our booth when you attend.
