At this time of year, we look forward to liaising with our collaborators and colleagues while we provide updates on ongoing work. This year, our scientists are excited to have both an in person and online presence at the Society of Toxicology (SOT) conference in San Diego, CA on March 27-31, 2022.1 Here are some presentations that you can expect from us and our collaborators.

Workshop sessions

Dr. Glenn Myatt will be presenting in a workshop session on the use of computational methods for addressing occupational safety: opportunities to support the 3Rs. The session is going to delve into industry specific use cases where computational tools are applied to an assessment of occupational concerns. His presentation is titled ‘Assessment of Whether Acute Toxicity In Silico Models Are Fit for Purpose for Classification and Labeling’. Dr. Myatt will detail how acute toxicity models are shown to be fit-for-purpose across various industries, and present a workflow based on acute toxicity model predictions, and use of existing in vitro data in expert review.

Poster sessions

  1. 1) C. Johnson, D. Bower, K. Cross, S. Miller, and G. Myatt. “The Use of Leadscope’s Skin Sensitization Alerts in the OECD 497 Integrated Testing Strategy (ITS) Defined Approach Workflow”
  2. Instem, Columbus, OH.

Here we describe the use of a combination of Leadscope’s skin sensitization alerts, Direct Peptide Reactivity Assay (DPRA) and Human Cell Line Activation Test (h-CLAT) assay results to assess the skin sensitization hazard or potency of substances.

2) Z. Mou1, R. Racz1, K. Cross2, S. Chakravarti3, and L. Stavitskaya1, “Quantitative Structure-Activity Relationship Model to Predict Cardiac Adverse Effects”

1US FDA, Silver Spring, MD; 2Instem, Columbus, OH; and 3MultiCASE, Inc., Beachwood, OH.

This poster describes the challenges in predicting cardiac toxicity using computational approaches and the expansion of training sets to be used for enhanced model development.

3) J. Hsieh1, S. Miller2, A. Sedykh3, K. P. Cross2, J. Erickson4, S. Nolte4, C. Schmitt4, G. Myatt2, and S. S. Auerbach4. “A Chemical Landscape Based on In Silico Data Availability Profile across Diverse In Vitro/In Vivo Assays to Support Read-Across Evaluations”           

1NIEHS/NTP, Research Triangle Park, NC; 2Instem, Columbus, OH; 3Sciome LLC, Durham, NC; and 4NIEHS/NTP, Durham, NC.

This work describes the use the applicability domain of in silico models to determine data-poor regions of chemical space for which read-across may be applied.

Exhibitor-hosted sessions

  1. 1) Target Safety Assessment (TSA) – Accelerating and Optimizing Your Journey to Regulatory Submission: Presented by Instem
  2. Wednesday 30th March, 12.00pm – 1.00pm (PST), Room 22

This presentation will provide insight on how our pioneering, technology-enabled service is transforming the TSA process, driving quality, pace, and insight in R&D.

2) Using Leadscope Computational Software to assess N-nitrosamine potency classes: Presented by Instem

Tuesday 29th March, 3.00pm – 4.00pm (PST), Room 23C

This session will outline how new in silico models and first-to-market software capabilities from Instem are supporting regulatory submissions, classification and labelling, and various new R&D activities. We will also include a review of recent updates to support the assessment of N-nitrosamine potency classes based on an extensive industry collaboration.

We look forward to seeing you at SOT 2022. If you have any questions, please feel free to reach out to me (Candice Johnson;