[A computer study of the relationship between the value and type of their embryotoxicity and the structure of synthetic analogs of biogenic amines].
We calculated 219 topological, electronic, and steric indices for each of 59 studied embryotoxic benzylalkylamines and indolamines. Statistically significant equations correlating embryotoxicity and five calculated parameters were obtained using the method of step multiple regression. The prognostic power of the equation was 88-90%. Discriminant functions obtained by step discriminant analysis allowed prediction of the superactivity of benzylalkylamines and indolamines with 83-87% probability.
Baskin
I I
II
Buznikov
G A
GA
Kabankin
A S
AS
Landau
M A
MA
Leksina
L A
LA
Ordukhanian
A A
AA
Paliulin
V A
VA
Petelin
D E
DE
D000818:Animals; D001679:Biogenic Amines / Q000633:toxicity*; D016002:Discriminant Analysis; D004625:Embryo, Nonmammalian / Q000187:drug effects*; D011379:Prognosis; D012044:Regression Analysis; D012617:Sea Urchins / Q000187:drug effects / Q000196:embryology; D012984:Software; D013329:Structure-Activity Relationship
D001679:Biogenic Amines