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IN SILICO MODELLING OF CYTOTOXIC BEHAVIOUR OF ANTI-LEUKEMIC COMPOUNDS ON HL-60 CELL LINE

作者：

David Ebuka Arthur , Adamu Uzairu , Paul Mamza , Eyije Abechi , Gideon Shallangwa

摘要：

This research employs multiple linear regression technique in the modelling of some potent anti-leukemic compounds using paDEL molecular descriptor software calculator, to identify the best relationship between the chemical structure and toxicities of the anticancer datasets against some leukemic cell lines (HL-60). Statistical parameters such as Q2 and R2pred (test set) were computed to validate the strength of the model, while Williams plot was used to assess its applicability domain. The mean effects of the molecular descriptors in the models were calculated to illuminate the principal properties of the molecules responsible for their cytotoxicity.

语种：

DOI：

10.18596/jotcsa.40785

来源期刊：

Journal of the Turkish Chemical Society, Section A: Chemistry

出版商：

Turkish Chemical Society

年，卷（期）：

2016;3(2):147-158