Dataset of curcumin derivatives for QSAR modeling of anti cancer against P388 cell line.
作者信息
Eryanti Yum, Zamri Adel, Frimayanti Neni, Supratman Unang, Herlina Tati
机构信息
Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Riau, Pekan Baru, 26293 Indonesia.
Department of Chemistry, Faculty of Mathematics and Natural Sciences, Padjadjaran University, Jalan Raya Bandung-Sumedang Km 21, Jatinangor 45363, Sumedang, Indonesia.
出版信息
Data Brief. 2016 Oct 3;9:573-578. doi: 10.1016/j.dib.2016.09.036. eCollection 2016 Dec.
The dataset of curcumin derivatives consists of 45 compounds (Table 1) with their anti cancer biological activity (IC) against P388 cell line. 45 curcumin derivatives were used in the model development where 30 of these compounds were in the training set and the remaining 15 compounds were in the test set. The development of the QSAR model involved the use of the multiple linear regression analysis (MLRA) method. Based on the method, value, value of 0.81, 0.67 were obtained. The QSAR model was also employed to predict the biological activity of compounds in the test set. Predictive correlation coefficient values of 0.88 were obtained for the test set.
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