He was the co-organizer of the Predictive Toxicology Challenge 2000-2001, an international competition in toxicity prediction.
The reliability of the mixture toxicity prediction is a key aspect when aiming at establishing a predictive mixture toxicity assessment in the regulatory context, e.g., in the environmental risk assessment of PPP.
The presence of toxic additives in a PPP that are not considered in the mixture toxicity prediction may therefore particularly explain underestimation of product toxicity when the test organisms are rather insensitive to the a.s.s
Also integrated are descriptor calculations, as well as the ability to run and build predictive models, including modules of the open source Toxtree [22 24] software for toxicity prediction.
Unterthiner, T., Mayr, A., Klambauer, G. & Hochreiter, S. Toxicity prediction using deep learning.
Our experiments concern a difficult problem of chemical toxicity prediction.
Lazar toxicity prediction, AdmetSAR predictions, and targeted docking studies were also performed.
Finally, the fragment contributions to the toxicity prediction evidenced the powerful of this topological approach.
In this account, we reviewed physico-chemical properties of graphene that plays a key role in toxicity prediction.
Expert systems for toxicity prediction are based on a number of methodologies, each with its own strengths and weaknesses.
Toxicity prediction and assessment indicate that the bio-toxicity of the intermediates is higher, even if the parent compounds are completely transformed.
