Chinese Materia Medica(CMM) properties are characterized as the hot/cold properties, of which we discussed and analyzed chemical fundamentals and our prediction system for CMM was presented particularly. The predictions accuracy of this system are 83.3% and 81% in training and test set respectively. Besides, five descriptors derived from the system such as atomic numbers, the number of H bond acceptors and negative charged surface area, had been put forward to give help on interpretation the relationship between hot/cold properties of CMM and their chemical ingredients.