A series of phosphonic acid and bisphosphoramidate derivatives were synthesized and characterized. The bioactivities against the fungal pathogen Macrophomina phaseolina and human acetylcholinesterase AChE enzyme were studied using QSAR based on multiple linear regression. L17, with (p-Cl–C₆H₄–NH) (p-Cl–C₆H₄)C(H)P(O)(OC₂H₅)₂ skeleton, demonstrated a great mortality on the M. phaseolina mycelial growth by 83% inhibition at 150 mg/L; the other tested derivative showed moderate to weak antifungal activity against the fungus. QSAR model based on the GA-MLR method revealed the importance of 3D descriptors (De, Mor18e, H8m, and Mor30p) on the antifungal activity. It showed good capability in predicting the fungicidal activity of the studied molecules. Another derivative, L5, with (m-CH₃–NC₅H₄–NH)(m-CH₃–C₆H₄)C(H)P(O)(OCH₃)₂ skeleton displays the most potent anti-AChE activity. The electronic parameters, ΔE_L-H, and E_LUMO, have the highest contribution of human AChE. The authors suggest that these models could be usefully employed in designing more effective crop protection compounds without side effects on non-target organisms.

合成并表征了一系列膦酸和双磷酸氨基酯衍生物。基于多重线性回归的QSAR研究了针对真菌病原体菜豆巨噬菌和人乙酰胆碱酯酶AChE酶的生物活性。具有（p -Cl–C ₆ H ₄ -NH）（p -Cl–C ₆ H ₄）C（H）P（O）（OC ₂ H ₅）₂骨架的L17在M上显示出很高的死亡率。菜豆在150 mg / L时，菌丝体生长受到83％的抑制；另一种测试的衍生物对真菌表现出中等至弱的抗真菌活性。基于GA-MLR方法的QSAR模型揭示了3D描述符（De，Mor18e，H8m和Mor30p）对抗真菌活性的重要性。它显示出良好的预测所研究分子杀真菌活性的能力。具有（m -CH ₃ -NC ₅ H ₄ -NH）（m -CH ₃ -C ₆ H ₄）C（H）P（O）（OCH ₃）₂骨架的另一种衍生物L5显示出最有效的抗- AChE活动。电子参数ΔE _L-H和E _LUMO，对人类AChE的贡献最大。作者认为，这些模型可用于设计更有效的作物保护化合物，而不会对非目标生物产生副作用。