Caliendo G, Fattorusso C, Greco G, Novellino E, Perissutti E, Santagada V
Dipartimento di Chimica Farmaceutica e Tossicologica, Universitä degli Studi di Napoli Federico II, Naples (Italy).
SAR QSAR Environ Res. 1995;4(1):21-7. doi: 10.1080/10629369508234011.
The steric properties modulating the mutagenic activity on S. typhimurium TA98 of a set of nitroaromatic compounds have been investigated using the CoMFA method. In addition to steric probe-ligand interaction energies, the overall lipophilicity and the energy of the lowest occupied molecular orbital have been employed as molecular descriptors.
已使用比较分子场分析法（CoMFA）研究了一组硝基芳香族化合物对鼠伤寒沙门氏菌TA98致突变活性的空间性质调控。除了空间探针 - 配体相互作用能外，整体亲脂性和最低未占分子轨道的能量也已用作分子描述符。
