QSAR MODELS FOR PREDICTING AQUEOUS SOLUBILITY - A COMPARISON OF 3 MAJOR APPROACHES

被引：0
|
作者：
NIRMALAKHANDAN, N [1 ]
SPEECE, RE [1 ]
机构：
[1] DREXEL UNIV,INST ENVIRONM STUDIES,PHILADELPHIA,PA 19104
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 1988年 / 196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：
引用
收藏
页码：92 / GEOC
相关论文
共 50 条
  • [21] Predicting intrinsic aqueous solubility by a thermodynamic cycle
    Palmer, David S.
    Llinas, Antonio
    Morao, Inaki
    Day, Graeme M.
    Goodman, Jonathan M.
    Glen, Robert C.
    Mitchell, John B. O.
    MOLECULAR PHARMACEUTICS, 2008, 5 (02) : 266 - 279
  • [22] COMPARISON OF 3 MODELS FOR PREDICTING ALTRUISTIC BEHAVIOR
    ZUCKERMAN, M
    REIS, HT
    JOURNAL OF PERSONALITY AND SOCIAL PSYCHOLOGY, 1978, 36 (05) : 498 - 510
  • [23] COMPARISON OF 2 RELATED APPROACHES TO MODELING IN QSAR
    HYDE, R
    LORD, E
    EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 1979, 14 (03) : 199 - 202
  • [24] Development of QSAR models for predicting hepatocarcinogenic toxicity of chemicals
    Massarelli, Ilaria
    Imbriani, Marcello
    Coi, Alessio
    Saraceno, Marilena
    Carli, Niccolo
    Bianucci, Anna Maria
    EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2009, 44 (09) : 3658 - 3664
  • [25] QSAR models for predicting the toxicity of halogenated phenols to Tetrahymena
    Chen, Xiao Hui
    Shan, Zhi Jie
    Zhai, Hong Lin
    TOXICOLOGICAL AND ENVIRONMENTAL CHEMISTRY, 2017, 99 (02) : 273 - 284
  • [26] WHIM-3D-QSPR APPROACH FOR PREDICTING AQUEOUS SOLUBILITY OF CHLORINATED HYDROCARBONS
    Zuas, Oman
    INDONESIAN JOURNAL OF CHEMISTRY, 2008, 8 (01) : 65 - 71
  • [27] Predicting aqueous solubility of chlorinated hydrocarbons by the MCI approach
    Wang, Ying-Long
    Hu, Yang-Dong
    Wu, Lian-Ying
    An, Wei-Zhong
    INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2006, 7 (02) : 47 - 58
  • [28] Comparison of weighted and unweighted consensus approaches in QSAR/QSPR
    Zhuang, Dechuan
    Lee, Adam
    Fraczkiewicz, Robert
    Waldman, Marvin
    Clark, Bob
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2011, 241
  • [29] Random forest models to predict aqueous solubility
    Palmer, David S.
    O'Boyle, Noel M.
    Glen, Robert C.
    Mitchell, John B. O.
    JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2007, 47 (01) : 150 - 158
  • [30] Predicting Drug-Induced Hepatotoxicity Using QSAR and Toxicogenomics Approaches
    Low, Yen
    Uehara, Takeki
    Minowa, Yohsuke
    Yamada, Hiroshi
    Ohno, Yasuo
    Urushidani, Tetsuro
    Sedykh, Alexander
    Muratov, Eugene
    Kuz'min, Viktor
    Fourches, Denis
    Zhu, Hao
    Rusyn, Ivan
    Tropsha, Alexander
    CHEMICAL RESEARCH IN TOXICOLOGY, 2011, 24 (08) : 1251 - 1262
12345