Related Experiment Videos
Shape-dependent effects in a series of aromatic nitro compounds acting as mutagenic agents on S. typhimurium TA98
G Caliendo1, C Fattorusso, G Greco
1Dipartimento di Chimica Farmaceutica e Tossicologica, Universitä degli Studi di Napoli Federico II, Naples (Italy).
SAR and QSAR in Environmental Research
|January 1, 1995
Abstract:
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.