Predicting physical and physical-chemical properties of molecular-based materials using computational neural networks

被引：0
|
作者：
Oak Ridge Natl Lab, Oak Ridge, United States [1 ]
机构：
来源：
Int J Smart Eng Syst Design | / 4卷 / 255-272期
关键词：
D O I：
暂无
中图分类号：
学科分类号：
摘要：
引用
收藏
相关论文
共 50 条
  • [1] Predicting physical-chemical properties of compounds from molecular structures by recursive neural networks
    Bernazzani, Luca
    Duce, Celia
    Micheli, Alessio
    Mollica, Vincenzo
    Sperduti, Alessandro
    Starita, Antonina
    Tine, Maria Rosaria
    JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2006, 46 (05) : 2030 - 2042
  • [2] ESTIMATION OF PHYSICAL-CHEMICAL PROPERTIES USING A NEURAL NETWORK
    WHITBECK, M
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1992, 203 : 46 - COMP
  • [3] COMPUTATIONAL NEURAL NETWORKS AS TOOLS FOR PREDICTING PHYSICAL-PROPERTIES OF MOLECULAR-SYSTEMS
    SUMPTER, BG
    NOID, DW
    GAKH, AA
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1994, 208 : 368 - PHYS
  • [4] Morphology and Physical-Chemical Properties of Composite Materials Based on Polyolefins and Chitosan
    Popyrina, T. N.
    Khavpachev, M. A.
    Ivanov, P. L.
    Monakhova, K. Z.
    Kuchkina, I. O.
    Evtushenko, Yu. M.
    Goncharuk, G. P.
    Zelenetskii, A. N.
    POLYMER SCIENCE SERIES C, 2024, 66 (01) : 46 - 54
  • [5] ELECTRODE PROCESSES AND THE PHYSICAL-CHEMICAL PROPERTIES OF ANODIC MATERIALS
    KOLOTYRKIN, YM
    DENKI KAGAKU, 1979, 47 (07): : 390 - 400
  • [6] Predicting physical properties of alkanes with neural networks
    Santak, Pavao
    Conduit, Gareth
    FLUID PHASE EQUILIBRIA, 2019, 501
  • [7] PHYSICAL-CHEMICAL PROPERTIES OF UBIQUITIN
    JENSON, J
    GOLDSTEIN, G
    BRESLOW, E
    BIOCHIMICA ET BIOPHYSICA ACTA, 1980, 624 (02) : 378 - 385
  • [8] Correlating physical properties of chemical compounds using neural networks
    Soman, A. G.
    Darsey, J. A.
    Noid, D. W.
    Sumpter, B. G.
    Chimica Oggi, (03):
  • [9] PHYSICAL-CHEMICAL STUDY OF PYRITOPHOSPHATE MATERIALS
    GERASIMOV, VV
    SHEPTITSKII, SP
    IZVESTIYA VYSSHIKH UCHEBNYKH ZAVEDENII KHIMIYA I KHIMICHESKAYA TEKHNOLOGIYA, 1986, 29 (07): : 86 - 90
  • [10] A novel quantum topological index and predicting physical-chemical properties of the lanthanidx
    Dai, YM
    Wen, SN
    Nie, CM
    Li, ZH
    CHINESE JOURNAL OF INORGANIC CHEMISTRY, 2005, 21 (07) : 1015 - 1019
12345