MultiCASE, Inc. was founded in 1996 and is located in Mayfield Heights, OH, a suburb of Cleveland. The company focuses on the research and development of innovative (Q)SAR methodologies and software solutions. MultiCASE has maintained strong regulatory, industry, and academic ties in the areas of computational, medicinal, and environmental chemistry.

Software Programs

CASE Ultra

Evaluate a variety of toxicological endpoints using (Q)SAR

META Ultra

Predict human metabolites and identify reactive metabolites

QSAR Flex

Assess complex toxicological endpoints with limited experimental data

Our Team

Meet the people who make up MultiCASE!

Dr. Roustem Saiakhov

President

Dr. Suman Chakravarti

Vice President
Chief Scientific Officer

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Gianna Cioffi

VP Customer Support

Kate Favre

Operations
Business Development

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Dr. Krystle Reiss

Research Scientist

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Melissa Dautas

Operations and
Marketing Coordinator

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Mounika Girireddy

Database Developer

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Sai Radha Mani Alla

Software Developer

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Shannon Bush

Customer Support Manager

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Debra Boutom

Summer Intern

Evolution of our Software
1984
The Origins of MultiCASE

The MultiCASE platform originated from research and numerous publications by Dr. Giles Klopman and his colleagues, which began in 1984. Their work demonstrated that quantitative structure-activity relationships can be identified using automated, data-driven computational methods without manually selecting descriptors.

https://doi.org/10.1021/ja00336a004

1984
CASE

MultiCASE debuted its first commercial software, CASE, to study the relationship between structure and biological activity of organic molecules.

1992
MCASE

The new MCASE algorithm analyzed the structural features relevant to the biological activity of molecules, building on the capabilities of its predecessor, CASE. The key advancement in MCASE was the hierarchical selection of descriptors, introducing the concepts of Biophores and Modulators for more accurate predictions of new molecules' potential activities.

1994
META

META was an expert system that predicted potential enzymatic attack sites and the resulting chemicals formed by these metabolic transformations. It relied on dictionaries of transformation operators, created by experts to represent known metabolic pathways.

2002
MC4PC and META PC

In order to take advantage of the flexible Windows environment and the availability of personal computers, the MCASE and META techniques were implemented into new programs called MC4PC and META PC.

2011
CASE Ultra

Replacing MC4PC, we launched CASE Ultra, our advanced software that uses fragment-based expert and statistical models to predict toxicological endpoints.

2016
META Ultra

Replacing META PC, we introduced META Ultra, a (Q)SAR system designed to predict xenobiotic metabolites and their toxicological properties.

2021
QSAR Flex

Our latest software, QSAR Flex, is one program with multiple in silico tools for approaching complex risk assessments using a weight of evidence approach.

Careers

We are always seeking talented people to join our team!  

Contact Us