Dataset on in-silico investigation on triazole derivatives via molecular modelling approach: A potential glioblastoma inhibitors
In this work, ten molecular compounds were optimised using density functional theory (DFT) method via Spartan 14. The obtained descriptors were used to develop quantitative structural activities relationship (QSAR) model using Gretl and Matlab software and the similarity between predicted IC50 and o...
Main Authors: | , , , , , , |
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Format: | Article |
Language: | English |
Published: |
Elsevier
2021-02-01
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Series: | Data in Brief |
Subjects: | |
Online Access: | http://www.sciencedirect.com/science/article/pii/S2352340920315821 |