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Quantitative prediction model for affinity of drug-target interactions based on molecular vibrations and overall

Xian-Rui Wang1, Ting-Ting Cao1, Cong Min Jia1

  • 1Key Laboratory of TCM-Information Engineer of State Administration of TCM, School of Chinese Pharmacy, Beijing University of Chinese Medicine, Beijing, 100102, China.

BMC Bioinformatics
|October 15, 2021
PubMed
Abstract

Keywords:
Chemical compositionDrug–target affinityDrug–target interactionsMolecular vibrationsRandom forest

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