Society of Environmental Toxicology and Chemistry

7.12 - Integrating in Silico (Q)SAR Methods Into Regulatory Framework: Issues, Challenges and Opportunities

Description

Keywords: Modeling, Predictive Toxicology, Regulatory Science

Approximately twenty years following the release of the “OECD Principles for the Validation, for Regulatory Purposes, of (Q)SAR Models” , the integration of in silico predictions as effective means to reduce animal testing has become a significant priority across regulations governing the assessment and management of chemical substances. Recently, the OECD, in collaboration with Italy’s Istituto Superiore di Sanità (ISS) and ECHA, introduced a (Q)SAR Assessment Framework (QAF) to provide enhanced guidance on assessing the reliability and suitability of predictions, on top of evaluating model quality.
Despite these advancements, several challenges continue to impede the effective use and regulatory integration of in silico predictions. These include questions regarding decidability, varying levels of prediction acceptability within different regulatory contexts, the evaluation of relevance and reliability of predictions, and the determination of model applicability domains and uncertainty. Furthermore, the rapid evolution and uptake of sophisticated machine learning techniques may pose transparency issues, further complicating the practical utilisation of these tools. Consequently, ensuring that personnel receive appropriate training to adequately understand these methodologies and critically assess their outputs is increasingly recognised as essential for the regulatory acceptance of in silico predictions.
This session aims to examine the current landscape concerning the application of QSARs within global regulatory frameworks, identifying principal issues, challenges, and opportunities. Discussion topics will include the ramifications of improper use of in silico approaches by end users, as well as the knowledge gaps that must be addressed to ensure safe and effective implementation by all stakeholders.
We invite contributions from users, developers, scientists, regulators, and policy-makers to comprehensively discuss the expectations, requirements, and priorities related to the proper integration of in silico tools across various application contexts. Submissions highlighting both the benefits and challenges, as well as prospects for advancing these methodologies, are welcome—ultimately fostering interdisciplinary dialogue to support the robust, future-proof implementation of QSARs.

Chairs

Ester Papa University of Insubria Italy
Salvador Moncho Escrivà European Chemicals Agency (ECHA) Finland
Doris Hirmann European Chemicals Agency (ECHA) Finland