We are pleased to be attending this year’s virtual GTA meeting1 and will be presenting on several topics throughout the course of the event.

On Thursday May 6th, Dr. Kevin Cross will be presenting “Predicting N-Nitrosamine Activity from Structure-Activity Relationships” as part of a Symposium on “The 3Rs and in Silico Modeling”. This presentation addresses whether N-Nitrosamine carcinogenicity can be better predicted for regulatory purposes using mechanism-specific structure-activity relationships to identify potency categories and establish more precise methods for selection of analogs.

We are also presenting a poster entitled “Using 50,000 bacterial mutagenicity study results to improve expert alerts”. This poster describes a technique for improving the performance of an expert alert system, which is referred to as SAR-fingerprinting. This method enables the identification of structure-activity relationship knowledge from both public and, importantly, proprietary databases without the necessity to exchange confidential information on individual chemical structures and their individual results. The presented work will discuss SAR-fingerprinting in relation to bacterial mutation and describe how the data from multiple public and proprietary databases is analyzed and used to improve the latest version of the Leadscope expert alerts v8.

Throughout the event, scientists from both the Computational Toxicology and the Genetic Toxicology groups at Instem will be available at the Instem booth. Our genetic toxicology solutions make it easier to run regulatory assays by bringing together experimental set up, data acquisition, and reporting into one easy to use, fully GLP compliant system.  They optimize Ames, Micronucleus, Chromosomal Aberrations, Comet, Neutral Red Uptake, and other assay workflows whilst improving regulatory compliance. Visit the booth to pick up a fact sheet or find out more about how to optimize your regulatory assay workflows.

We look forward to meeting you there.

Please send me, Dr. Glenn Myatt (glenn.myatt@instem.com), a note if you would like to discuss any of these topics in more detail.

References

  1. https://gta-us.org/annualmeeting/

Published by Glenn Myatt

Glenn J. Myatt is the co-founder and currently head of Leadscope (An Instem company) with over 25 years’ experience in computational chemistry/toxicology. He holds a Bachelor of Science degree in Computing from Oxford Brookes University, a Master of Science degree in Artificial Intelligence from Heriot-Watt University and a Ph.D. in Chemoinformatics from the University of Leeds. He has published 27 papers, 6 book chapters and three books.