PT  - JOURNAL ARTICLE
AU  - ANDREY A. TOROPOV
AU  - ALLA P. TOROPOVA
TI  - Predicting Cytotoxicity of 2-Phenylindole Derivatives Against Breast Cancer Cells Using Index of Ideality of Correlation
AID  - 10.21873/anticanres.12972
DP  - 2018 Nov 01
TA  - Anticancer Research
PG  - 6189--6194
VI  - 38
IP  - 11
4099  - http://ar.iiarjournals.org/content/38/11/6189.short
4100  - http://ar.iiarjournals.org/content/38/11/6189.full
SO  - Anticancer Res2018 Nov 01; 38
AB  - Background: Breast cancer is one of the leading types of cancer in women worldwide. Quantitative structure–activity relationship (QSAR) methods play an important role in the search for new anticancer agents. A QSAR model for cytotoxicity against the breast cancer cell line MCF7, based on hybrid optimal descriptors, has been suggested. A modified version of the hybrid descriptor is suggested. Materials and Methods: A QSAR model for the anticancer activity of 2-phenylindole derivatives was built using the Index of Ideality of Correlation (IIC), which is a new criterion for predictive potential. The calculation can be carried out with a modified version of the CORAL software. Results: The model for the anticancer activity suggested here is better than the one described in the literature. Conclusion: Taking into account the data on molecular rings together with the use of new criterion of predictive potential (IIC), the QSAR improves the prediction for anticancer activity.