Bioactivity descriptors for in vivo toxicity prediction: now and the future

被引:1
作者
Helmke, Palle [1 ]
Fuezi, Barbara [1 ]
Ecker, Gerhard F. [1 ,2 ]
机构
[1] Univ Vienna, Dept Pharmaceut Sci, Josef Holaubek Pl 2, Vienna, Austria
[2] Univ Vienna, Dept Pharmaceut Sci, Josef Holaubek Pl 2, A-1090 Vienna, Austria
基金
奥地利科学基金会;
关键词
Toxicity prediction; machine learning; chemical fingerprints; adverse events; biological fingerprints;
D O I
10.1080/17425255.2024.2334308
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
引用
收藏
页码:541 / 543
页数:3
相关论文
共 50 条
  • [1] Using Molecular Fingerprints as Descriptors in Toxicity Prediction: A Survey
    Mahmoud, Rana S.
    Yousef, Ahmed H.
    2019 IEEE INTERNATIONAL CONFERENCE ON BIOINFORMATICS AND BIOMEDICINE (BIBM), 2019, : 2649 - 2654
  • [2] Toxicity prediction using target, interactome, and pathway profiles as descriptors
    Fuezi, Barbara
    Mathai, Neann
    Kirchmair, Johannes
    Ecker, Gerhard F.
    TOXICOLOGY LETTERS, 2023, 381 : 20 - 26
  • [3] Data-driven toxicity prediction in drug discovery: Current status and future directions
    Wang, Ningning
    Li, Xinliang
    Xiao, Jing
    Liu, Shao
    Cao, Dongsheng
    DRUG DISCOVERY TODAY, 2024, 29 (11)
  • [4] Computational prediction of toxicity
    Mishra, Meenakshi
    Fei, Hongliang
    Huan, Jun
    INTERNATIONAL JOURNAL OF DATA MINING AND BIOINFORMATICS, 2013, 8 (03) : 338 - 348
  • [5] Chemical in vitro bioactivity profiles are not informative about the long-term in vivo endocrine mediated toxicity
    Grenet I.
    Comet J.P.
    Schorsch F.
    Ryan N.
    Wichard J.
    Rouquié D.
    Computational Toxicology, 2019, 12
  • [6] Turbo prediction: a new approach for bioactivity prediction
    Ammar Abdo
    Maude Pupin
    Journal of Computer-Aided Molecular Design, 2022, 36 : 77 - 85
  • [7] Turbo prediction: a new approach for bioactivity prediction
    Abdo, Ammar
    Pupin, Maude
    JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2022, 36 (01) : 77 - 85
  • [8] Artificial Intelligence-Based Toxicity Prediction of Environmental Chemicals: Future Directions for Chemical Management Applications
    Jeong, Jaeseong
    Choi, Jinhee
    ENVIRONMENTAL SCIENCE & TECHNOLOGY, 2022, 56 (12) : 7532 - 7543
  • [9] A novel toxicity prediction model for hydrazine compounds based on 1D-3D molecular descriptors
    Wang, Hao-yang
    Jia, Ying
    Jing, Guo-feng
    Wu, Xiu-chao
    COMPUTATIONAL TOXICOLOGY, 2021, 18 (18)
  • [10] Drug Side Effect Profiles as Molecular Descriptors for Predictive Modeling of Target Bioactivity
    Baker, Nancy C.
    Fourches, Denis
    Tropsha, Alexander
    MOLECULAR INFORMATICS, 2015, 34 (2-3) : 160 - 170