Screening structure and predicting toxicity of pesticide adjuvants using molecular dynamics simulation and machine learning for minimizing environmental impacts
Zhenping Bao, Rui Liu, Yanling Wu, Songhao Zhang, Xuejun Zhang, Bo Zhou, Paul F. Luckham, Yuxia Gao, Chenhui Zhang, Fengpei Du
Topics & Concepts
ToxicityBioavailabilityZebrafishPesticideAdjuvantEnvironmental toxicologyChemistryComputational biologyPharmacologyBiologyBiochemistryImmunologyGeneOrganic chemistryAgronomyEnvironmental Chemistry and AnalysisPesticide and Herbicide Environmental StudiesEnvironmental Toxicology and Ecotoxicology