NoTox: Toxicity Analysis of Molecules and their derivatives. Primary Advisor : Professor David J. Wild Bioinformatics Advisor: Professor Sun Kim. What is Computational Toxicology.
Primary Advisor : Professor David J. Wild
Bioinformatics Advisor: Professor Sun Kim.
The different types of toxicology include
this is an example of a simple displacement reaction representation
Drug Guru uses smirks to develop alternative compounds based on medicinal chemistry reactions.
NoTox combines the concept of Drug Guru with a different field – Toxicity.
Apart from Smirksgen and Toxtree,
R-OH . ATP >> R-O-phosphate . ADP
NoTox can be used to search for non-toxic alternatives to toxic compounds,and to find possible toxic metabolites
An evaluation study that looks at the following can be performed