Mutagenicity is the property of chemical compound to induce mutations. Jeroen Kazius and co-workers has found
a small set of chemical substructures that often lead to mutagenicity (see J. Med. Chem., 2005, 48 (1), pp 312–320).
Such substructures are also called toxicophores. In this assignment, I studied the presence of toxicophores in malaria bioasssay
with AID 449704.

I downloaded bioassay in SDF (Structure Data Format) file format. I then used Open Babel to identify all compounds in the assay
that contained toxicophore. On Figure 1, I show the total number of compounds with each type of toxicophore.
AliaksandrKrukauToxicophoreCount.png
Fig.1 Frequency of toxicophores in the malaria bioassay with AID

In total, studied bioassay contains 4617 molecules. From Fig. 1, we see that the most common toxicophores are pcp (polyclic planar system), aromatic nitrogroup, and aromatic nitroamine.