'Bandit' algorithms help chemists to discover generally applicable conditions for reactions

被引:0
|
作者
Wang, Jason Y. [1 ]
Doyle, Abigail G. [1 ]
机构
[1] Univ Calif Los Angeles, Los Angeles, CA 90095 USA
关键词
Organic chemistry; Chemistry; Synthesis; Machine learning;
D O I
10.1038/d41586-024-00446-5
中图分类号
O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];
学科分类号
07 ; 0710 ; 09 ;
摘要
In organic chemistry, finding conditions that enable a broad range of compounds to undergo a particular type of reaction is highly desirable. However, conventional methods for doing so consume a lot of time and reagents. A machine-learning method has been developed that overcomes these problems.
引用
收藏
页码:45 / 46
页数:2
相关论文
共 12 条
  • [1] Towards a generally applicable self-adapting hybridization of evolutionary algorithms
    Jakob, W
    Blume, C
    Bretthauer, G
    [J]. GENETIC AND EVOLUTIONARY COMPUTATION - GECCO 2004, PT 1, PROCEEDINGS, 2004, 3102 : 790 - 791
  • [2] ATOM ECONOMICAL REACTIONS HELP CHEMISTS ELIMINATE WASTE
    ROUHI, AM
    [J]. CHEMICAL & ENGINEERING NEWS, 1995, 73 (25) : 32 - 35
  • [3] A GENERALLY APPLICABLE METHOD FOR THE MEASUREMENT OF HETEROGENEOUS RATE CONSTANTS OF REACTIONS OCCURRING AT THE SOLID LIQUID INTERFACE
    UNWIN, PR
    BARWISE, AJ
    COMPTON, RG
    [J]. JOURNAL OF COLLOID AND INTERFACE SCIENCE, 1989, 128 (01) : 208 - 222
  • [4] Production of selenomethionine-labelled proteins using simplified culture conditions and generally applicable host/vector systems
    Guerrero, SA
    Hecht, HJ
    Hofmann, B
    Biebl, H
    Singh, M
    [J]. APPLIED MICROBIOLOGY AND BIOTECHNOLOGY, 2001, 56 (5-6) : 718 - 723
  • [5] Production of selenomethionine-labelled proteins using simplified culture conditions and generally applicable host/vector systems.
    S. Guerrero
    H.-J. Hecht
    B. Hofmann
    H. Biebl
    M Singh
    [J]. Applied Microbiology and Biotechnology, 2001, 56 : 718 - 723
  • [6] Towards Faster Training Algorithms Exploiting Bandit Sampling From Convex to Strongly Convex Conditions
    Zhou, Yangfan
    Huang, Kaizhu
    Cheng, Cheng
    Wang, Xuguang
    Hussain, Amir
    Liu, Xin
    [J]. IEEE TRANSACTIONS ON EMERGING TOPICS IN COMPUTATIONAL INTELLIGENCE, 2023, 7 (02): : 565 - 577
  • [7] Palladium salt and functional reduced graphene oxide complex: in situ preparation of a generally applicable catalyst for C-C coupling reactions
    Wang, Sheng
    Hu, Donghua
    Hua, Wenwen
    Gu, Jiangjiang
    Zhang, Qiuhong
    Jia, Xudong
    Xi, Kai
    [J]. RSC ADVANCES, 2015, 5 (66): : 53935 - 53939
  • [8] Generally applicable and efficient oxidative Heck reaction of arylboronic acids with olefins catalyzed by cyclopalladated ferrocenylimine under base- and ligand-free conditions
    Leng, Yuting
    Yang, Fan
    Wei, Kun
    Wu, Yangjie
    [J]. TETRAHEDRON, 2010, 66 (06) : 1244 - 1248
  • [9] Comprehensive thermodynamic model applicable to highly acidic to basic conditions for isosaccharinate reactions with Ca(II) and Np(IV)
    Rai, D
    Hess, NJ
    Xia, YX
    Rao, LF
    Cho, HM
    Moore, RC
    Van Loon, LR
    [J]. JOURNAL OF SOLUTION CHEMISTRY, 2003, 32 (08) : 665 - 689
  • [10] Comprehensive Thermodynamic Model Applicable to Highly Acidic to Basic Conditions for Isosaccharinate Reactions with Ca(II) and Np(IV)
    Dhanpat Rai
    Nancy J. Hess
    Yuanxian Xia
    Linfeng Rao
    Herman M. Cho
    Robert C. Moore
    Luc R. Van Loon
    [J]. Journal of Solution Chemistry, 2003, 32 : 665 - 689