Quantitative structure-activity relationship (QSAR) directed the discovery of 3-(pyridin-2-yl)benzenesulfonamide derivatives as novel herbicidal agents.

Yong XieWei PengFei Ding Changling LiuHong-Juan MaChang-Ling Liu

Published in: Pest management science (2017)

The novel compounds such as 4 t have remarkable biological activity after the structural optimisation utilising the constructed 3D-QSAR models, i.e. such QSAR models have great accuracy. © 2017 Society of Chemical Industry.

Keyphrases

structure activity relationship
small molecule
wastewater treatment
high resolution
high throughput
molecular docking
molecular dynamics
mass spectrometry