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Increasing the property estimation reliability for large set of molecular graphs on the base of k-NN Classificationтезисы доклада
- Авторы: Perevoznikov A.V., Shestov A.M., Permyakov E.A., Kumskov M.I.
- Сборник: Proc. 10th Int. Conf. Pattern Recognition And Image Analysis: New Information Technologies
- Тезисы
- Год издания: 2010
- Место издания: St. Petersburg, Volume II
- Первая страница: 205
- Последняя страница: 205
- Аннотация: The solution of the "structure-property" based on the molecular graphs descriptors selection with k-NN classifier is proposed. The results of comparing the construction of predictive models using the search and without it are given. The high stability of the classifier function construction quality is tested using the test sample.
- Добавил в систему: Кумсков Михаил Иванович