In Silico Prediction of Chemical Toxicity Profile Using Local Lazy Learning

Background: Chemical toxicity is an important reason for late-stage failure in drug R&D. However, it is time-consuming and expensive to identify the multiple toxicities of compounds using the traditional experiments. Thus, it is attractive to build an accurate prediction model for the toxicity profile of compounds. Keywords: Toxicity profile, Local lazy learning, ECFP_4, Laplacian-modified Bayesian.