Agricultural production decision-making is becoming more complicated due to the inherent complexity of the interaction between natural and human processes as the heart of agricultural systems. Predicting the behavior of agricultural systems is critically important for sustainability issues. Since agriculture is a human activity that is dependent on its main actors, farmers’ behavior needs to be investigated in terms of the extent to which their activities are consistent with sustainable agriculture initiatives. This study is based on the documentary research method conducted by a systematic literature review. The main goal was to review and analyze pro-environmental behavior theories in terms of their strengths and weaknesses during the time period of 1975-2016. The strengths and weaknesses of each theory were described after the introduction of each theory. On the other hand, a comparison of the theories based on seven indicators is presented too. About 14 theories were reviewed to reach agent-based theories of decision-making, in which feedback is provided on the system. Based on the results, the agent-based integrated theories are diagnosed to be the most suitable and comprehensive for the study and prediction of farmers’ behaviors among the studied theories.