The DENDRAL project: computational aids to natural products structure elucidation
نویسندگان
چکیده
منابع مشابه
Iupac the Dendral Project : Computational Aids to Natural Products
We discuss the use of several computer programs designed to aid chemists in structure elucidation. These programs are highly interactive in that a chemist works together with a program to derive structural candidates for an unknown, to evaluate the candidates using spectroscopic data, and to explore relationships between structure and biological activity. An example is carried through the discu...
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Although in the past 20 yr a large number of new synthetic approaches have been developed methods of isolation and structural elucidation have changed more dramatically in the last two decades than have those of synthesis. For the purification of natural products more and more different chromatographic techniques like paper, thin-layer, column, and gas—liquid chromatography are being used. Char...
متن کاملRecent developments in automated structure elucidation of natural products.
Advancements in the field of Computer-Assisted Structure Elucidation (CASE) of Natural Products achieved in the past five years are discussed. This process starts with a dereplication procedure, supported by structure-spectrum databases. Both commercial and free products are available to support the procedure. A number of new programs,as well as advancements in existing ones, are presented. Fin...
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Principles o f the automated structure elucidation system for organic compounds (CHEMICS) and i t s applications t o natural product chemistry are described. I t i s made clear t h a t CHEMICS i s a t the practical level in structure elucidation of natural products through the introduction of 2D-NMR data processing and specific partial structure elucidation functions t o the system. The CHEMICS...
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Mass Spectrometry is an important tool for the identification and structural elucidation of natural products. A review of the last fifteen years of research in this field, applied to natural glycosides, is presented.
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ژورنال
عنوان ژورنال: Pure and Applied Chemistry
سال: 1982
ISSN: 1365-3075,0033-4545
DOI: 10.1351/pac198254122425