Developing an adverse outcome pathway framework for carcinogenicity from alerts in an expert rule-based system
Presented by Dr Robert Foster at EUROTOX 2018.
Derek Nexus is an in silico, expert rule-based system capable of predicting for multiple toxicity endpoints. Accompanying the predictions are informative descriptions highlighting known toxicants and a plausible biological mechanism of action (Figure 1). Structural alerts are currently organised and presented to the user according to a hierarchy of toxicity endpoints. An alternative approach to organising this knowledge is the use of adverse outcome pathways (AOPs). An AOP is a mechanistic representation linking a molecular initiating event (MIE) to an adverse outcome (AO) through sequential key events (KEs). KEs are described at a defined level of biological organisation and linked together according to known biological mechanisms which are supported by empirical evidence.
This poster describes the rearrangement of the knowledge contained in Derek Nexus into a format compatible with an AOP framework.