Over the last year we have been working hard developing a new easy-to-use read-across solution that can instantaneously access over 200,000 chemicals with over 600,000 toxicity studies. The platform is able to integrate this data with chemicals and studies added by the user to conduct a read-across evaluation.

It has been designed to directly support a variety of use cases including regulatory submissions (e.g., assessment of pharmaceutical impurities and extractables & leachables), occupational toxicology, classification and labelling, and product discovery.

It is aligned with regulatory expectation to identify and justify the use of chemical analogs based on their similarity that can be analyzed from different perspectives: (1) structural similarity (global and local), (2) physico-chemical similarity, and (3) biological similarity. The read-across is performed using a variety of search and visualization options that have been integrated within the tool. These tools are coupled with direct access to curated and graded data, methodologies for predicting relevant toxicological endpoints, and capabilities for predicting the underlying mechanism using profiling tools. This allows for a smooth integration of QSAR predictions in your read-across study when needed.

At the heart of the tools is a data matrix where all information is collected alongside functionalities to interrogate the results, such as explaining predictions. This simple data matrix can also be shared and reports generated by directly exporting to Excel.

We would like to thank all the beta testers for their extremely helpful suggestions to improve the tool.

If you would like to discuss this new tool, please contact me (Glenn Myatt; glenn.myatt@instem.com).

Published by Glenn Myatt

Glenn J. Myatt is the co-founder of Leadscope and currently Vice President, Informatics of Instem with over 25 years’ experience in computational chemistry/toxicology. He holds a Bachelor of Science degree in Computing, a Master of Science degree in Artificial Intelligence and a Ph.D. in Chemoinformatics. He has published 34 papers, 10 book chapters and three books.

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