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DFT Based Computational Methodology of IC50 Prediction

Bag, A

Bag, A (corresponding author), Maulana Abul Kalam Azad Univ Technol, Dept Appl Sci, Sch Nat & Appl Sci, Nadia 741249, W Bengal, India.

CURRENT COMPUTER-AIDED DRUG DESIGN, 2021; 17 (2): 244

Abstract

Background: IC50 is one of the most important parameters of a drug. But, it is very difficult to predict this value of a new compound without experime......

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