Дослідження зв’язку між структурою 4-тіазолідинонів та їх протипухлинною активністю за допомогою багатовимірних адаптивних регресійних сплайнів
Combining the bagging method with multivariate adaptive regression splines the complex QSAR-model that incorporates 200 submodels has been developed. The predictive ability of the new model has the superiority over already known 4-thiazolidinones anticancer activity models. The interpretation of the...
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| Datum: | 2013 |
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| Hauptverfasser: | , |
| Format: | Artikel |
| Sprache: | Russian |
| Veröffentlicht: |
National University of Pharmacy
2013
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| Schlagworte: | |
| Online Zugang: | https://ophcj.nuph.edu.ua/article/view/ophcj.13.757 |
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| Назва журналу: | Journal of Organic and Pharmaceutical Chemistry |
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Journal of Organic and Pharmaceutical Chemistry| Zusammenfassung: | Combining the bagging method with multivariate adaptive regression splines the complex QSAR-model that incorporates 200 submodels has been developed. The predictive ability of the new model has the superiority over already known 4-thiazolidinones anticancer activity models. The interpretation of the most significant descriptors used in the model reveals promising templates for the design of new anticancer agents. The earlier conclusion that small sizes of molecules together with the absence of bonds with high dipole moments increase the antitumor activity has been confirmed. The influence of 3D-MoRSE descriptors values on the capability of compounds to inhibit the cancer cells growth has been found. |
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