Machine learning maps reaction space

被引：0
|
作者：
Lemonick, Sam
机构：
来源：
CHEMICAL & ENGINEERING NEWS | 2021年 / 99卷 / 05期
关键词：
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
引用
收藏
页码：6 / 6
页数：1
相关论文
共 50 条
  • [1] Machine learning in chemical reaction space
    Stocker, Sina
    Csanyi, Gabor
    Reuter, Karsten
    Margraf, Johannes T.
    [J]. NATURE COMMUNICATIONS, 2020, 11 (01)
  • [2] Machine learning in chemical reaction space
    Sina Stocker
    Gábor Csányi
    Karsten Reuter
    Johannes T. Margraf
    [J]. Nature Communications, 11
  • [3] Mapping reaction space with machine learning
    Doyle, Abigail
    [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2019, 257
  • [4] Deoxyfluorination with Sulfonyl Fluorides: Navigating Reaction Space with Machine Learning
    Nielsen, Matthew K.
    Ahneman, Derek T.
    Riera, Orestes
    Doyle, Abigail G.
    [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2018, 140 (15) : 5004 - 5008
  • [5] Machine Learning for Vibrational Spectroscopic Maps
    Kananenka, Alexei A.
    Yao, Kun
    Corcelli, Steven A.
    Skinner, J. L.
    [J]. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2019, 15 (12) : 6850 - 6858
  • [6] Exploring Chemical Reaction Space with Machine Learning Models: Representation and Feature Perspective
    Ding, Yuheng
    Qiang, Bo
    Chen, Qixuan
    Liu, Yiqiao
    Zhang, Liangren
    Liu, Zhenming
    [J]. JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2024, 64 (08) : 2955 - 2970
  • [7] COMPUTATIONAL CHEMISTRY Machine learning maps atoms
    Lemonick, Sam
    [J]. CHEMICAL & ENGINEERING NEWS, 2021, 99 (15) : 5 - 5
  • [8] Machine intelligence for chemical reaction space
    Schwaller, Philippe
    Vaucher, Alain C.
    Laplaza, Ruben
    Bunne, Charlotte
    Krause, Andreas
    Corminboeuf, Clemence
    Laino, Teodoro
    [J]. WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE, 2022, 12 (05)
  • [9] Representing Catalytic and Processing Space in Methane Oxidation Reaction via Multioutput Machine Learning
    Miyazato, Itsuki
    Thanh Nhat Nguyen
    Takahashi, Lauren
    Taniike, Toshiaki
    Takahashi, Keisuke
    [J]. JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2021, 12 (02): : 808 - 814
  • [10] Redesigning Learning Space Based on Game Maps
    Cui, Xu
    Zhang, Zhenglei
    Li, Jianjie
    [J]. 3RD ANNUAL INTERNATIONAL CONFERENCE ON INFORMATION SYSTEM AND ARTIFICIAL INTELLIGENCE (ISAI2018), 2018, 1069
12345