The lure of increased productivity and crop yield has caused the imprudent use of pesticides in great quantity that has unfavorably affected environmental health. Pesticides are chemicals intended for avoiding, eliminating, and mitigating any pests that affect the crop. Lack of awareness, improper management, and negligent disposal of pesticide containers have led to the permeation of pesticide residues into the food chain and other environmental pathways, leading to environmental degradation. Sufficient steps must be undertaken at various levels to monitor and ensure judicious use of pesticides. Development of prediction models for optimum use of pesticides, pesticide management, and their impact would be of great help in monitoring and controlling the ill effects of excessive use of pesticides. This paper aims to present an exhaustive review of the prediction models developed and modeling strategies used to optimize the use of pesticides.