In silico methods are essential to the safety evaluation of chemicals. Computational risk
assessment offers several approaches, with data science and knowledge-based methods
becoming an increasingly important sub-group. One of the substantial attributes of data
science is that it allows using existing data to find correlations, build strong hypotheses, and
create new, valuable knowledge that may help to reduce the number of resource intensive
experiments. In choosing a suitable method for toxicity prediction, the available data and …