Computational toxicology, friend or foe?
Nigel Greene, William D. Pennie · Toxicology Research · 2015
Computational approaches offer the attraction of being both fast and cheap to run being able to process thousands of chemical structures in a few minutes. As with all new technology, there is a tendency for these approaches to be hyped up and claims of reliability and performance may be exaggerated. So just how good are these computational methods?