Finding the Missing Property Concepts in Pesticide-Likeness
Dongyu Chen, Ge‐Fei Hao, Baoan Song
Abstract
Poor bioavailability of pesticides is one of the major bottlenecks in the development of pesticides. Applications of the concept of pesticide-likeness have been widely accepted as one of the ways to break the bottleneck. At present, the evaluation of pesticide-likeness is mainly based on absorption, distribution, metabolism, excretion, and toxicity (ADME-T) property concepts of pesticides. However, a few significant property concepts of pesticides are ignored in the research of pesticide-likeness. Herein, we summarize the current study of ADME-T and other property concepts and analyze physicochemical properties for pesticides in the last 30 years, such as Fsp3, log P, and chiral centers. On the basis of these analyses, we propose that molecular complexity and residual property concepts of pesticides should be considered in the pesticide-likeness study. We hope that this work can help pesticide researchers and students, who are less knowledgeable in the field, to assess pesticide-likeness.