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Applications of artificial intelligence for chemical inference. 8. An approach to the computer interpretation of the high resolution mass spectra of complex molecules. Structure elucidation of estrogenic steroids.

作者信息

Smith D H, Buchanan B G, Engelmore R S, Duffield A M, Yeo A, Feigenbaum E A, Lederberg J, Djerassi C

出版信息

J Am Chem Soc. 1972 Aug 23;94(17):5962-71. doi: 10.1021/ja00772a005.

DOI:10.1021/ja00772a005
PMID:5054401
Abstract
摘要

相似文献

1
Applications of artificial intelligence for chemical inference. 8. An approach to the computer interpretation of the high resolution mass spectra of complex molecules. Structure elucidation of estrogenic steroids.人工智能在化学推理中的应用。8. 一种计算机解读复杂分子高分辨率质谱的方法。雌激素类甾体的结构解析。
J Am Chem Soc. 1972 Aug 23;94(17):5962-71. doi: 10.1021/ja00772a005.
2
Applications of artificial intelligence: relationships between mass spectra and pharmacological activity of drugs.
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3
The relationship between the mass spectra of drugs and their biological activity--an application of artificial intelligence to chemistry.药物质谱与其生物活性之间的关系——人工智能在化学中的应用
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4
Algorithms for automatic interpretation of high resolution mass spectra.高分辨率质谱自动解释算法。
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Applications of computerized pattern recognition: a survey of correlations between pharmacological activities and mass spectra.计算机模式识别的应用:药理活性与质谱之间的相关性综述。
Biomed Mass Spectrom. 1976 Aug;3(4):151-4. doi: 10.1002/bms.1200030402.
6
Applications of artificial intelligence for chemical inference. IX. Analysis of mixtures without prior separation as illustrated for estrogens.人工智能在化学推理中的应用。IX. 雌激素为例说明无需预先分离的混合物分析
J Am Chem Soc. 1973 Sep 5;95(18):6078-84. doi: 10.1021/ja00799a040.
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Applications of artificial intelligence to chemistry. Use of pattern recognition and cluster analysis to determine the pharmacological activity of some organic compounds.人工智能在化学中的应用。利用模式识别和聚类分析确定某些有机化合物的药理活性。
Anal Chem. 1974 Aug;46(9):1181-7. doi: 10.1021/ac60345a030.
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Artificial intelligence, pattern recognition, and neurobiology.
Int J Neurosci. 1972 Mar;3(3):147-54. doi: 10.3109/00207457209147634.
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Computer simulation: artificial intelligence studies and their relevance to psychology.计算机模拟:人工智能研究及其与心理学的相关性。
Annu Rev Psychol. 1968;19:135-68. doi: 10.1146/annurev.ps.19.020168.001031.
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Computer-aided analysis of organic mass spectra.有机质谱的计算机辅助分析
Angew Chem Int Ed Engl. 1972 May;11(5):357-66. doi: 10.1002/anie.197203571.

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计算机和软件在质谱分析中的关键作用——SEQUEST与串联质谱数据库搜索的20年
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An enlarged data base of electron-ionization mass spectra.扩充后的电子电离质谱数据库。
J Am Soc Mass Spectrom. 1991 Sep;2(5):432-7. doi: 10.1016/1044-0305(91)85010-4.
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Analysis of steroidal estrogens as pyridine-3-sulfonyl derivatives by liquid chromatography electrospray tandem mass spectrometry.液相色谱-电喷雾串联质谱法分析吡啶-3-磺酰基衍生物形式的甾体雌激素
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Proc Natl Acad Sci U S A. 1973 Dec;70(12):3419-22. doi: 10.1073/pnas.70.12.3419.