Rational solvent selection in asymmetric hydrogenation using molecular descriptors and machine learning

被引：0
|
作者：
Amar, Yehia [1 ]
Schweidtmann, Artur [2 ]
Deutsch, Paul [3 ]
Lapkin, Alexei [1 ]
机构：
[1] Univ Cambridge, Chem Engn & Biotechnol, Cambridge, England
[2] Rhein Westfal TH Aachen, Aachener Verfahrenstech Proc Syst Engn, Aachen, Germany
[3] UCB Pharma SA, Braine Lalleud, Belgium
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2018年 / 256卷
关键词：
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
154
引用
收藏
页数：1
相关论文
共 50 条
  • [31] In Silico Prediction and Screening of γ-Secretase Inhibitors by Molecular Descriptors and Machine Learning Methods
    Yang, Xue-Gang
    Lv, Wei
    Chen, Yu-Zong
    Xue, Ying
    JOURNAL OF COMPUTATIONAL CHEMISTRY, 2010, 31 (06) : 1249 - 1258
  • [32] Solvent selection for polymers enabled by generalized chemical fingerprinting and machine learning
    Kern, Joseph
    Venkatram, Shruti
    Banerjee, Manali
    Brettmann, Blair
    Ramprasad, Rampi
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2022, 24 (43) : 26547 - 26555
  • [33] Variable selection QSAR using molecular connectivity indices as descriptors.
    Tropsha, A
    Golbraikh, A
    Xiao, YD
    Bonchev, D
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2000, 220 : U285 - U285
  • [34] Improvement of Epitope Prediction Using Peptide Sequence Descriptors and Machine Learning
    Munteanu, Cristian R.
    Gestal, Marcos
    Martinez-Acevedo, Yunuen G.
    Pedreira, Nieves
    Pazos, Alejandro
    Dorado, Julian
    INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2019, 20 (18)
  • [35] Prediction of protein corona on nanomaterials by machine learning using novel descriptors
    Duan, Yaokai
    Coreas, Roxana
    Liu, Yang
    Bitounis, Dimitrios
    Zhang, Zhenyuan
    Parviz, Dorsa
    Strano, Michael
    Demokritou, Philip
    Zhong, Wenwan
    NANOIMPACT, 2020, 17
  • [36] Machine Learning Assisted Selection of Catalyst for γ-Valerolactone Hydrogenation from Levulinic Acid
    Liu, Dongyu
    Jia, Zhen
    Shen, Lu
    Liu, Wenman
    Pang, Ruixin
    Yu, Shitao
    Liu, Shiwei
    Li, Lu
    Liu, Yue
    Yu, Longzhen
    ACS SUSTAINABLE CHEMISTRY & ENGINEERING, 2024, 12 (44): : 16340 - 16353
  • [37] Solvent selection for extractive distillation using molecular simulation
    Woo, Hee Chul
    Kim, Young Han
    AICHE JOURNAL, 2019, 65 (09)
  • [38] Feature Selection using an SVM learning machine
    El Ferchichi, Sabra
    Laabedi, Kaouther
    Zidi, Salah
    Maouche, Salah
    2009 3RD INTERNATIONAL CONFERENCE ON SIGNALS, CIRCUITS AND SYSTEMS (SCS 2009), 2009, : 485 - +
  • [39] Understanding chiral transfer in asymmetric hydrogenation using molecular mechanics.
    White, DP
    Wainright, MV
    Douglass, TW
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2000, 219 : U734 - U734
  • [40] Machine Learning Approach for the Estimation of Henry's Law Constant Based on Molecular Descriptors
    Ullah, Atta
    Shaheryar, Muhammad
    Lim, Ho-Jin
    ATMOSPHERE, 2024, 15 (06)
12345