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- W1999077427 abstract "Quantitative structure-activity relationship (QSAR) studies have been performed on a series of 138 title compounds exhibiting β-adrenergic blocking activity. De novo model of Fujita-Ban has been applied in order to calculate the activity contribution of various structural modifications. The correlation between activity and group contributions obtained after contraction studies is significant at P < 0.0005. Attempts have been made to assign physical meaning to the activity contribution values by establishing their relationship with partitioning, electronic and steric characteristics of the substituents. Some new β-blockers have been predicted and their activity estimated from the calculated group contributions. Des études QSAR ont été réalisées sur une série de 138 composés 1-(2,4-disubstitué phénoxy)-3-aminopropan-2-ols présentant une activité bloquante β-adrénergique. Le modèle de novo de Fujita-Ban a été utilisé pour calculer la contribution active des diverses modifications structurales. La corrélation activité-contribution des groupes obtenue après études de contraction est significative à P < 0.0005. Des tentatives ont été faites pour assigner une signification physique aux valeurs de contribution d'activité en établissant leur relation avec le partage et les caractéristiques électroniques et stériques des substituants. Quelques nouveaux β-bloquants ont été proposés et leur activité évaluée à partir des contributions de groupe calculées." @default.
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- W1999077427 date "1990-10-01" @default.
- W1999077427 modified "2023-09-25" @default.
- W1999077427 title "Quantitative structure-activity relationship studies: β-adrenergic blocking activity of 1-(2,4-disubstituted phenoxy)-3-aminopropan-2-ols" @default.
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- W1999077427 doi "https://doi.org/10.1016/0223-5234(90)90134-o" @default.
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