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- W2022600566 abstract "Abstract Multiple linear regression analysis has been used to identify the most important properties relevant to psychotomimetic activity displayed by 37 phenylalkylamines. Using the minimal topologic differences (MTD) parameter, lipophilicity (log P, calculated by using π Hansch substituent terms), average electrostatic field (AEF) and electronic descriptors, lowest unoccupied molecular orbital energies (ELUMO) and net atomic charges (obtained from AM1 calculations), good correlations with biological activity were obtained (R2 = 0.79 − 0.92). Cross-validation procedure was applied indicating a good predictability of the proposed models (R2cv = 0.67 − 0.81)." @default.
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- W2022600566 date "1996-09-01" @default.
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- W2022600566 title "QSAR study with steric (MTD), electronic and hydrophobicity parameters on psychotomimetic phenylalkylamines" @default.
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