Predicting synthetic accessibility: Application in drug discovery and development

被引:50
|
作者
Baber, JC [1 ]
Feher, M [1 ]
机构
[1] SignalGene Inc, Guelph, ON N1G 4P7, Canada
关键词
synthetic accessibility; synthetic feasibility; drug discovery; drug development; screening; prioritization; retrosynthetic analysis;
D O I
10.2174/1389557043403765
中图分类号
R914 [药物化学];
学科分类号
100701 ;
摘要
The estimation and use of synthetic accessibility in the drug discovery process is discussed. A distinction is drawn between synthetic feasibility and accessibility and the practical uses of an accessibility score are examined. Various techniques used in the estimation of accessibility are described and their utility and potential accuracy compared.
引用
收藏
页码:681 / 692
页数:12
相关论文
共 50 条
  • [1] Editorial: Peptidomimetics: Synthetic Tools for Drug Discovery and Development
    Del Gatto, Annarita
    Cobb, Steven L.
    Zhang, Jinqiang
    Zaccaro, Laura
    FRONTIERS IN CHEMISTRY, 2021, 9
  • [2] Estimation of Synthetic Accessibility during Computational Drug Design
    Vorsilak, Milan
    Svozil, Daniel
    CHEMICKE LISTY, 2017, 111 (11): : 760 - 765
  • [3] Application of Metabolomics in Drug Discovery, Development and Theranostics
    Cuperlovic-Culf, Miroslava
    Culf, Adrian S.
    Morin, Pier Jr
    Touaibia, Mohamed
    CURRENT METABOLOMICS, 2013, 1 (01) : 41 - 57
  • [4] Application of artificial intelligence and machine learning methods in drug discovery and development
    Naranjo-Castaneda, Carlos
    Coello-Coello, Carlos A.
    Juaristi, Eusebio
    ARKIVOC, 2024,
  • [5] Development and application of PI3K assays for novel drug discovery
    Yanamandra, Mahesh
    Mitra, Sayan
    Giri, Archana
    EXPERT OPINION ON DRUG DISCOVERY, 2015, 10 (02) : 171 - 186
  • [6] Proteomics and Its Application in Biomarker Discovery and Drug Development
    He QingYu Chiu JenFu Department of Chemistry Open Laboratory of Chemical Biology of the Institute of Molecular Technology for Drug Discovery and Synthesis Institute of Molecular Biology University of Hong Kong
    合成化学, 2004, (S1) : 15 - 15
  • [7] Drug discovery and development: lessons from an undeveloped drug
    Gordi, Toufigh
    EXPERT REVIEW OF CLINICAL PHARMACOLOGY, 2012, 5 (02) : 157 - 162
  • [8] Lipidomics analysis in drug discovery and development
    Kostidis, Sarantos
    Sanchez-Lopez, Elena
    Giera, Martin
    CURRENT OPINION IN CHEMICAL BIOLOGY, 2023, 72
  • [9] Causal inference in drug discovery and development
    Michoel, Tom
    Zhang, Jitao David
    DRUG DISCOVERY TODAY, 2023, 28 (10)