QSAR software for modeling and predicting toxicity of chemicals
CASE Ultra: The area of application is for the purposes of predicting the Toxicity of chemicals. It includes the dual methodology for the ICH M7 submissions to Regulatory bodies like the USA FDA , the EMA and others in countries like Japanese, Korean, Brazilian, and Chinese Regulatory markets.
The below salient points are unique to CASE Ultra and are not available with other tools:
Why Prefer CaseUltra: CaseUltra is a widely used software that meets the requirements of the regulatory agencies around the world for ICH M7 requirements like the US FDA, Japanese, Korean, European, Brazilian, and Chinese markets. Those apart below are some UNIQUE reasons that put CaseUltra many notches higher than the competitive products:
1. CaseUltra Software – from MultiCase – was developed as a result of a Research Collaboration between MultiCase Inc and the US FDA, and MultiCase was the first company whose software was used in-house by FDAfor In Silico Toxicity assessment. As a result, most of our QSAR Models are validated by the FDA. The Research Collaboration with FDA has been going on without a break for the past 20+ years. Due to this ongoing research collaboration, the US FDA uses in-house the CaseUltra software on a regular basis and is well versed with the software and its output.
2. Single interface for both Methodologies: For ICH M7 – Bacterial Mutagenicity – Submissions both the Statistical & Expert Rule-Based QSAR Methodologies are built into CaseUltra and both are available in a single interface of CaseUltra. Unlike others that provide both these in two separate software, which makes them not only costly but a bit cumbersome to use.
3. Largest Database in the World: The quality of the output of the In Silico toxicity assessments software is underpinned by the quality of the data. As CaseUltra was developed as a result of the research collaboration with the US FDA, much of the database too was shared by the US FDA. We can say with great confidence that MultiCase has THE LARGEST database in the world. CaseUltra is the ONLY Software that has a second (Q)SAR database that is proprietary and shared by many pharma companies around the world. This second QSAR database makes CaseUltra as if you are buying Two QSAR software in one – as all the other software incorporate just ONE QSAR database, whereas CaseUltra incorporates TWO
4. In-built Expert Review Feature -Konsolidator– CaseUltra is the ONLY software in the market that incorporates the Expert Review Feature. Konsolidator is a CASE Ultra tool that generates supporting evidence for expert review of Insilco bacterial Mutagenicity predictions, with a focus on the ICH M7 guideline. Why is this feature necessary? Because, when the final judgment is to be made in case of a Conflict in the result from both methods i.e. Rule-Based and Statistical, the inbuilt tool Konsolidator will help you with the final judgment. This will contain all the necessary justification to help with drafting your final Expert Review for submissions to regulatory bodies. The importance of an in-built Expert Review feature is highlighted in the webinar presented by Dr. Aldo of AMGEN on Expert Review, which you can hear by following the link https://www.youtube.com/watch?v=mpNwq70VkCo
5. QMRF Documentation: CaseUltra is OECD-compliant software and when you purchase the license the necessary QMRF documentation is provided
The TOXICITY CATEGORIES In CASE Ultra re as below
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