A joint optimization QSAR model of fathead minnow acute toxicity based on a radial basis function neural network and its consensus modeling
Yukun Wang, Xuebo Chen · RSC Advances · 2020
= 0.7430. A frequency weighted and distance (FWD)-based application domain (AD) definition method was proposed, and the outliers were analyzed carefully. Compared with previous studies the method proposed in this paper has obvious advantages and its robustness and external predictive power are also better than Xgboost-based model. It is an effective QSAR modeling method.