Chemoinformatics analysis on pesticides

1 478 pesticides were extracted from BCPC (British Crop Production Council) The e-Pesticide Manual V5.0 and compared with clinical drugs by chemoinformatics methods,which include statistics on physicochemical properties,molecular fragment usage frequencies and analysis of chemical space distribution.The result showed that the pesticides possess lower molecular weight,higher lipid solubility and significantly more F,Cl,P atoms in contrast with clinical drugs.The molecular fragment usage and chemical space distribution of pesticides also showed obvious difference.These results provide valuable guidance to further pesticide design.