MultiCASE, Inc.

And we’re off! ?? Our team is headed to the Society of Toxicology (SOT) ToxExpo in Orlando and we have an exciting list of events planned! Take a peek below to see details about our Exhibitor-Hosted Session, Poster Presentations, and a special Cheers to 30 Years celebration we are hosting ?? Stop by Booth 840 to connect with us!

?? MultiCASE's Dr. Krystle Reiss, PhD, Dr. Roustem Saiakhov, and Dr. Suman Chakravarti have recently published a new article titled "(Q)SAR Approaches to Predict the Extent of Nitrosation in Pharmaceutical Compounds" in Chemical Research in Toxicology! This study explores the risk of nitrosamine and NDSRI formation using both statistical and expert rule-based prediction systems with accuracies of ~80%. ???? And great news! The article is open-access so you can read it in its entirety for free here: https://lnkd.in/gi6GiAtQ Thanks for having us, ACS Publications! ??

While we can't guarantee the outcome of your predictions, our software models can help assess the safety of your lead compounds and identify toxicity issues early in the drug discovery process. Interested in trying CASE Ultra, QSAR Flex, or META Ultra? Check out our website?https://multicase.com?or email?[email protected]?for more information!

We’re excited to share that Dr. Krystle Reiss, PhD, Senior Research Scientist at MultiCASE, has been elected Treasurer of the Americal Chemical Society Cleveland Local Section! ?? We’re proud to see her take on this new role and continue supporting the local scientific community. Congratulations, Krystle! ?? #ACS #Cleveland #ComputationalToxicology #MultiCASE

?? Happy Holidays from all of us at MultiCASE! May your holidays be merry, your predictions be accurate, and your databases be clean!?Wishing you all the joy (and none of the toxicity) this season. ?

We’re excited to share that two of our team members, Dr. Suman Chakravarti and Mounika Girireddy, are coauthors of the newly published paper, “Quantitative Structure-Activity Relationship Models to Predict Cardiac Adverse Effects,” in ???????????????? ???????????????? ???? ????????????????????. The study utilizes QSAR models, including our CASE Ultra platform, and advanced data analysis to evaluate postmarket adverse events, resulting in predictive tools for 12 cardiac endpoints. ?? Read the full publication here: https://lnkd.in/gky_ZxZH or visit our website: https://lnkd.in/dkWAEYV8.

?? We have an announcement to make! Both our CASE Ultra and QSAR Flex software have been updated! Swipe right to see what’s new. Attending the American College of Toxicology (ACT) conference? Visit us at Booth 310 for a live demo and to chat with our team!

We’re just days away from the American College of Toxicology (ACT) Conference in Austin! Join us for our Exhibitor-Hosted Program, “Computational Approaches for N-Nitrosamine Assessments,” on Wednesday, November 20 at 12 PM in Room 205. Feel free to stop by Booth 310 to say howdy if you're around! ??

?? Nitrosamines are everywhere, but don’t be afraid! The new N-Nitrosation Formation Module in QSAR Flex assesses the nitrosation potential of amines, such as drug APIs and impurities. This module is supported by several databases, including those for nitrosation reactions, commonly used reagents, solvents, synthesis catalysts, and nitrosamine animal carcinogenicity data. Facing nitrosamines doesn’t have to be frightening—QSAR Flex has you covered. Happy Halloween from our team! ??

?? Headed to the American College of Toxicology (ACT) Conference in Austin? So are we! Join us for our Exhibitor-Hosted Program "Computational Approaches for N-Nitrosamine Assessments" on Wednesday, November 20 at 12 pm in Room 205.?Lunch will be provided!