Events

Upcoming Events

To be announced.

 

Past Events

CTSS and DTTSS Jointly Sponsored Webinar

Webinar

Artificial Intelligence in the Design of Safer Medicines—Science or Science Fiction?

Speaker(s):
Nigel Greene, AstraZeneca

Artificial Intelligence in the Design of Safer Medicines—Science or Science Fiction?
There are strong economic drivers to reduce the costs associated with the discovery of new medicines. However, drug discovery and development are multiparameter optimization problems that require a novel medicine to have a fine balance between its efficacy, ADME properties and safety. Although the number of clinical failures from safety has been reduced in recent years, there are still improvements that could be made. Data science and artificial intelligence is a potential method to both improve the safety profile of new drugs as well as reduce the costs and time to bring these to the clinic. This talk will highlight some of the current investments in computational methods and highlight some of the key gaps in realizing these benefits.


Webinar Recording

Intro Slides

Thursday, April 16, 2020

11:00 AM to 12:30 PM (EDT)

CTSS and RASS Jointly Sponsored Webinar

Webinar

Computational Methods in Next-Generation Risk Assessment of Consumer Products

Speaker(s):
Steve Gutsell, PhD, Unilever Safety and Environmental Assurance Centre
Colworth Science Park, Sharnbrook, London, United Kingdom

Abstract:
The use of computational models is common-place across the consumer product development pipeline. The mantra of “in silico first” applies to almost all areas of efficacy and safety. Safety assessments of novel chemicals (or novel uses of existing chemicals) is required to cover human exposure and release to the environment. A key principle is that modern risk assessments should be exposure led and quantitative, so that predictions relating to dose may be interpretable in the context of exposure. Interpreting outputs from in vitro assays requires an understanding of both cellular exposure and how these relate to in vivo internal concentrations. The concept of exposure-led assessment allows methods to identify and characterize hazard and risk to be applied in a tiered manner starting with exposure-based waiving e.g.TTC, DST, ecoTTC) and building through in silico, in chemico and in vitro assays combined in weight of evidence assessments. As with any safety assessment the need for robustness, reliability and traceability of decisions made using computational approaches is paramount to their acceptance and success. The concept and benefits of pathways-based approaches to risk assessment will also be introduced in the context of both environmental and human health risk assessment.


Webinar Recording

Webinar Slides

Thursday, April 16, 2020

11:00 AM to 12:30 PM (EDT)

CTSS Webinar

Webinar

US FDA Experience in the Regulatory Application of (Q)SAR Modeling

Speaker(s):
Naomi Kruhlak, BS, PhD
US Food & Drug Administration, Center for Drug Evaluation & Research

Description:
The US Food and Drug Administration (FDA) actively promotes and supports research into state-of-the-art computational toxicology approaches including (quantitative) structure-activity relationship, also known as(Q)SAR, modeling for regulatory decision-making. Within FDA’s Center for Drug Evaluation and Research, a significant focus of this research is on the safety assessment of drug impurities under the ICH M7 guideline, where a (Q)SAR prediction can be used as an alternative to empirical testing to assess mutagenic potential. The successful implementation of the ICH M7 guideline has led to the development of best practices for the conduct of (Q)SAR analyses, evaluation of model outputs, and submission of (Q)SAR data to regulators. Building on this success, new opportunities for the regulatory application of (Q)SARs are being explored for other endpoints including carcinogenicity and endocrine disruption, as well as for other components of FDA-regulated products beyond impurities.

This presentation will provide an in-depth look at current regulatory practice and expectations for the use of (Q)SAR models under ICH M7, as well as highlight emerging applications of the methodology to chemical entities and endpoints of regulatory importance to FDA.


Webinar Recording

Webinar Slides

February 5, 2020

11:00 am EDT

CTSS Webinar

Webinar

An Introduction to in silico Toxicology

Description:
In silico toxicology has a number of unique benefits compared to in vivo or in vitro methods: it is fast to run, it does not require any test material, and often provides an understanding of the structural (and mechanistic) basis for any toxicity prediction. In addition, it has been validated as fit-for-purpose for specific toxicology endpoints and there exist protocols and other documentation to support its adoption. As such, it is being successfully used in a variety of applications across toxicology.

This webinar will outline the process of developing and using in silico methods to predict toxicity. The two commonly used in silico methodologies, expert rule-based (or structural alerts) and statistical-based (or QSAR models), will be described. In silico models are built from existing knowledge or automatically derived from training sets of historical toxicity data. The construction of these models will be described as well as how these models could be used to make a prediction and support an expert review. A series of case studies will be used to illustrate this process using first principles and commercial software.


  • Introduction to different methodologies
  • Expert rule-based methodologies
  • Statistical-based methodologies
  • Predicting toxicity
  • Expert review

Webinar Recording

Webinar Slides

September 20, 2019

11:00 am EDT