Место издания:Springer Science+Business Media B.V Amsterdam, Netherlands
Первая страница:49
Последняя страница:53
Аннотация:The solution of the "structure-property" based on the molecular graphs descriptorsselection with k-NN classifier is proposed. The results of comparing the construction ofpredictive models using the search and without it are given. The high stability of the classifier function construction quality is tested using the real sample of the molecular structures.