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  2. Pharmaceutical/Pharmaceutical Life science field research and development support Pharmaceutical in silico risk assessment support tool QSAR Flex (Infocom Co., Ltd.)
Pharmaceutical/Pharmaceutical Life science field research and development support Pharmaceutical in silico risk assessment support tool QSAR Flex-QSAR Flex
Pharmaceutical/Pharmaceutical Life science field research and development support Pharmaceutical in silico risk assessment support tool QSAR Flex-Infocom Co., Ltd.

Pharmaceutical/Pharmaceutical Life science field research and development support Pharmaceutical in silico risk assessment support tool QSAR Flex
Infocom Co., Ltd.

About This Product

■Product overview

QSAR Flex from MultiCASE in the US is software that realizes a new calculation approach for compound risk assessment. Utilizing analog search, regression analysis, random forests, and Bayesian networks, statistical and knowledge-based QSAR approaches can predict the physical properties of compounds and estimate complex toxicities. It is especially suitable for evaluating compounds with complex toxicity such as nitrosamine impurities.

■About QSAR Flex

QSAR Flex can predict compound physical properties and complex toxicity based on machine learning and quantitative structure-activity relationships (QSAR), supporting read-across of nitrosamine impurities and ecotoxicity evaluation. It is very easy to operate and does not require complex operations on the user's data. The prediction speed is also very fast, and thousands of compounds can be processed in minutes.

■Supports carcinogenicity evaluation of nitrosamines

To evaluate the carcinogenicity of unknown nitrosamines, we automatically estimate CPCA potency categories and estimate TD50 using read-across. These modules were developed in collaboration with MultiCASE and the U.S. Food and Drug Administration (FDA), and are used by many companies including the FDA.

■Product features

・CPCA prediction module ・Supports read-across of nitrosamine impurities ・Supporting ecotoxicity assessment ・Equipped with data input support function DataKurator ・Report function

■Operating environment

・OS: Windows 10/11, Windows Server 2008R2 or later Server OS. Both Japanese/English (64bit) ・CPU: Intel Core i series or compatible series (recommended: 8th generation Intel Core i series or later) ・HDD/SSD: 20GB or more free space (recommended: SSD) ・RAM: 2GB or more free space (recommended: 16GB RAM) ・Monitor: High resolution of 1,280 x 720 or higher (recommended: 1,920 x 1,080 or higher) ・Others: Internet connection (required for license authentication during installation)

  • Product

    Pharmaceutical/Pharmaceutical Life science field research and development support Pharmaceutical in silico risk assessment support tool QSAR Flex

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1 Models of Pharmaceutical/Pharmaceutical Life science field research and development support Pharmaceutical in silico risk assessment support tool QSAR Flex

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Pharmaceutical/Pharmaceutical Life science field research and development support Pharmaceutical in silico risk assessment support tool QSAR Flex-Part Number-QSAR Flex

QSAR Flex

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About Company Handling This Product

Infocom Co., Ltd.

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