Computer Study of Relationships between Embryotoxicity and the Structure of Synthetic Analogues of Biogenic Aminesстатья
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Дата последнего поиска статьи во внешних источниках: 30 марта 2018 г.
Аннотация: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.