ADMET evaluation in drug discovery. 20. Prediction of breast cancer resistance protein inhibition through machine learning

ADMET evaluation in drug discovery. 20. Prediction of breast cancer resistance protein inhibition through machine learning

Abstract Breast cancer resistance protein (BCRP/ABCG2), an ATP-binding cassette (ABC) efflux transporter, plays a critical role in multi-drug resistance (MDR) to anti-cancer drugs and drug–drug interactions. The prediction of BCRP inhibition can facilitate evaluating potential drug resistance and dr...

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Bibliographic Details
Main Authors: Dejun Jiang, Tailong Lei, Zhe Wang, Chao Shen, Dongsheng Cao, Tingjun Hou
Format: Article
Language:English
Published: BMC 2020-03-01
Series:Journal of Cheminformatics
Subjects:
Breast cancer resistance protein
Multi-drug resistance
Machine learning
Extreme gradient boosting
Ensemble learning
ADMET
Online Access:http://link.springer.com/article/10.1186/s13321-020-00421-y

Internet

http://link.springer.com/article/10.1186/s13321-020-00421-y

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