A study of ring‐substituent influence on pharmacological activity in a series of phenethylamine‐type psychedelics
International Journal of Quantum Chemistry December 20, 2004 James W. King, Stephen P. Molnar
AbstractGeometry optimization for each member of a series of 15 substituted phenethylamines with reported psychotomimetic activity was performed using MM2 and MOPAC93 (AM1) methods. This was followed by calculation of previously developed, numerically unitary structure indices, viz., the molecular transform indices FTm, FTe, and FTc, indicating general, electronic, and charge properties...