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author:

Liu, Xiaobin (Liu, Xiaobin.) [1] | Zheng, Danhua (Zheng, Danhua.) [2] | Zhong, Yi (Zhong, Yi.) [3] | Xia, Zhaofan (Xia, Zhaofan.) [4] | Luo, Heng (Luo, Heng.) [5] | Weng, Zuquan (Weng, Zuquan.) [6] (Scholars:翁祖铨)

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Scopus SCIE

Abstract:

Drug discovery is a costly process which usually takes more than 10 years and billions of dollars for one successful drug to enter the market. Despite all the safety tests, drugs may still cause adverse reactions and be restricted in use or even withdrawn from the market. Drug-induced liver injury (DILI) is one of the major adverse drug reactions, and computational models may be used to predict and reduce it. To assess the computational prediction performance of DILI, we curated DILI endpoints from three databases and prepared drug features including chemical descriptors, therapeutic classifications, gene expressions, and binding proteins. We trained machine-learning models to predict the various DILI endpoints using different drug features. Using the optimal feature sets, the top-performing models obtained areas under the receiver operating characteristic curve (AUC) around 0.8 for some DILI endpoints. We found that some features, including therapeutic classifications and proteins, have good prediction performance towards DILI. We also discovered that the severity of DILI endpoints as well as the selection of negative samples may significantly affect the prediction results. Overall, our study provided a comprehensive collection, curation, and prediction of DILI endpoints using various drug features, which may help the drug researchers to better understand and prevent DILI during the drug discovery process.

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Community:

  • [ 1 ] [Liu, Xiaobin]Second Mil Med Univ, Changhai Hosp, Dept Burns, Shanghai, Peoples R China
  • [ 2 ] [Xia, Zhaofan]Second Mil Med Univ, Changhai Hosp, Dept Burns, Shanghai, Peoples R China
  • [ 3 ] [Liu, Xiaobin]Fuzhou Univ, Ctr Big Data Res Burns & Trauma, Fuzhou, Fujian, Peoples R China
  • [ 4 ] [Xia, Zhaofan]Fuzhou Univ, Ctr Big Data Res Burns & Trauma, Fuzhou, Fujian, Peoples R China
  • [ 5 ] [Luo, Heng]Fuzhou Univ, Ctr Big Data Res Burns & Trauma, Fuzhou, Fujian, Peoples R China
  • [ 6 ] [Weng, Zuquan]Fuzhou Univ, Ctr Big Data Res Burns & Trauma, Fuzhou, Fujian, Peoples R China
  • [ 7 ] [Zheng, Danhua]Fuzhou Univ, Coll Biol Sci & Engn, Fuzhou, Fujian, Peoples R China
  • [ 8 ] [Zhong, Yi]Fuzhou Univ, Coll Biol Sci & Engn, Fuzhou, Fujian, Peoples R China
  • [ 9 ] [Weng, Zuquan]Fuzhou Univ, Coll Biol Sci & Engn, Fuzhou, Fujian, Peoples R China

Reprint 's Address:

  • 夏照帆 蔡其洪 翁祖铨

    [Xia, Zhaofan]Second Mil Med Univ, Changhai Hosp, Dept Burns, Shanghai, Peoples R China;;[Xia, Zhaofan]Fuzhou Univ, Ctr Big Data Res Burns & Trauma, Fuzhou, Fujian, Peoples R China;;[Luo, Heng]Fuzhou Univ, Ctr Big Data Res Burns & Trauma, Fuzhou, Fujian, Peoples R China;;[Weng, Zuquan]Fuzhou Univ, Ctr Big Data Res Burns & Trauma, Fuzhou, Fujian, Peoples R China;;[Weng, Zuquan]Fuzhou Univ, Coll Biol Sci & Engn, Fuzhou, Fujian, Peoples R China

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Source :

BIOMED RESEARCH INTERNATIONAL

ISSN: 2314-6133

Year: 2020

Volume: 2020

3 . 4 1 1

JCR@2020

2 . 6 0 0

JCR@2023

ESI Discipline: BIOLOGY & BIOCHEMISTRY;

ESI HC Threshold:156

JCR Journal Grade:2

CAS Journal Grade:3

Cited Count:

WoS CC Cited Count:

SCOPUS Cited Count: 9

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 2

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