DFT based Computational Methodology of IC50 Prediction.
Bag A.
Bag A.
Curr Comput Aided Drug Des. 2021;17(2):244-253. doi: 10.2174/1573409916666200219115112.
Curr Comput Aided Drug Des. 2021.
PMID: 32072903
BACKGROUND: IC(50) is one of the most important parameters of a drug. But, it is very difficult to predict this value of a new compound without experiment. There are only a few QSAR based methods available for IC(50) prediction, which is also highly dependabl …
BACKGROUND: IC(50) is one of the most important parameters of a drug. But, it is very difficult to predict this value of a new …