Characteristic Chemical Transformation Patterns in Biodegradation Pathways

There are many environmental compounds and biologically-active synthetic compounds, such as toxins and drugs, whose molecular mechanisms in a living cell still need to be investigated. Therefore, one approach is to computationally analyze the biological activity of compounds in a systematic manner. Thus we have been developing chemical bioinformatics methods to evaluate the reactivity of biochemical compounds towards the prediction of reaction pathways of diverse compounds. In this study, we have analyzed the chemical propensity of reactions in terms of chemical transformation patterns between compounds, which has been applied to the analysis of microbial biodegradation pathways.