It includes the electronic materials, i.e., the scripts and data used to train the model. The model predicted the probability that a compound induces each of three selected common key events (CKEs) of the simplified Adverse Outcome Pathway (AOP) network and the adverse outcome (AO) of developmental neurotoxicity (DNT), taking into account correlations and causal relations informed by the key event relationships (KERs).
It can be run on
The publication on this work can be read here https://doi.org/10.1016/j.comtox.2021.100206
The results were initially presented at the PyMCon2020 Conference.