MultiCASE 2022 Event Schedule

Upcoming Events

MultiCASE presents latest research at multiple scientific conferences each year.
We also host educational webinars exploring areas of significant challenge or exciting research within the QSAR field.
Please browse this page to uncover what we have in store for the remaining and upcoming year.

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Events and News

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Connect with us through any of the below events

November 13th- 16th, 2022
American College of Toxicology 43rd Annual Meeting

Join in on November 15th for presentations by Alejandra Trejo-Martin of Gilead Sciences and Suman Chakravarti of MultiCASE which will discuss computational local similarity methods to objectively identify relevant surrogates for data-poor nitrosamines in support of expert decision making.
Scientific Program

Oct. 19th-21st, 2022
American Society for Cellular and Computational Toxicology Annual Meeting

Poster Title: Prediction of Endocrine Disruption Potential of Chemicals Using QSAR Modeling of In vitro and In vivo Assays

Meeting Website

Sept. 18th- 21st, 2022
We will be exhibiting at Booth # 1 at the International Congress of Toxicology Meeting

Meeting Website

May 18th-20th, 2022
Genetic Toxicology Association Annual Meeting

Meeting Website

MultiCASE SOT 2022 Materials

Tox Expo Dates

3/28/2022 - 3/30/2022 | 9:00 AM - 4:30 PM PST | Booth 1315

Scientific Poster 1

Session Title: Safety Assessment: Pharmaceutical—Drug Development II
Abstract Number/Poster Board number: 4798/P863
Session Date | Time: 3/30/2022 2:30:00 PM to 3/30/2022 | 4:15:00 PM

Scientific Poster 2

Session Title: Computational Toxicology II
Abstract Number/Poster Board number: 4206/P136
Session Date | Time: 3/30/2022 10:45:00 AM to 3/30/2022 | 12:30:00 PM


Date |Time | Location: 3/30/2022 | 9:00 AM to 10:00 AM | Room 23C

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December 2021: Nitrosamine Research

Event Description: Nitrosamines pose serious cancer risk in environment, food and as impurities in drugs. However, it is a difficult task to determine potency of untested nitrosamines. Lack of adequate in vivo and in vitro carcinogenicity assay data is certainly a major challenge, but at the same time, carcinogenicity risk ofNitrosamines is considered to be related to their mutagenicity, metabolic profile, and physicochemical properties. Therefore, computational approaches are becoming a potential technique to relate structural features with carcinogenic potency.
In this session we will discuss research efforts in MultiCASE to develop databases, novel algorithms, and computational tools to handle this problem.
We have developed an analog based algorithm using structural environment of the nitrosamine functionality, i.e., local similarity. A special molecular fingerprint was developed which enables retrieval of relevant analogs, and gives indication of the carcinogenic potency of the query compound when combined with physicochemical properties and experimental carcinogenic potency of the analogs. We will discuss the merits and limitations of this approach and possible factors for consideration during expert review.

November 2021: The Role of Expert Review

Event Description: For 25 years, MultiCASE has developed cheminformatic tools for evaluating toxicity and metabolism potential for chemicals.  Throughout that time, the MultiCASE ICH M7 Suite has become a robust collection of models and tools available to perform ICH M7 compliant risk assessments.  In accordance with the ICH M7 guideline, both expert rule-based and statistical (Q)SAR methodologies are required to assess the DNA reactivity potential of a query chemical. Each (Q)SAR methodology produces an individual outcome related to the mutagenic potential of the impurity/query chemical. In some cases the individual model outcomes conflict with each other demanding further expert review to determine the overall classification. The MultiCASE Konsolidator tool provides a unique solution to settle conflicting calls from individual models used for ICH M7.  This session will explore how the Konsolidator tool augments the expert review process to reach a better and informed decision for ICH M7 class assignment and regulatory submission.

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Career Opportunities

No open positions at this time. Please check back or send letter of interest and resume to :
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