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Alternative fuels for both spark ignition (SI) and compression ignition (CI) engines have become very important owing to increased environmental protection concern, the need to reduce dependency on petroleum and even socioeconomic aspects. An appropriate sustainable fuel alternative has turn out to be a main concern and bio-diesel is one of the sustainable fuels. The path of interest in biodiesel has highlighted its advantages which include decrease in hydrocarbon and particulate matter. Meanwhile its shortcoming includes higher emission of oxides of nitrogen. This work is an attempt to develop a mathematical relationship to predict thermal NOx in CI engine fuelled with neat biodiesel. Attention was focused on using in-cylinder pressure based variables to predict NOx. In cylinder pressure measurement is a valuable tool for the analysis of CI engine combustion, which is used for finding the heat release rate, ignition delay, etc.