3.反应数据库(Reaction Databases):包括Organic Synthesis、Compendium of Chiral Auxiliary Applications、ChemReact、ChemSynth等4个数据库,其中Organic Synth...
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Key: Chemical Abstracts SciFinder 文献数据库(CAplus MEDLINE), 结构数据库(REGISTRY), 反应数据库(CASREACT), 商业来源数据库(CHEMCATS), 管制数据库(CHEMLIST) SciFinder Scholar 文献数据库(CAplus MEDLINE), 结构数据库(REGI...
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化学反应数据库 CASREACT
mdl化学反应数据库 mdl chemical reaction database
单分子反应计算数据库 ChemRate A Calculational Database for Unimolecular Reaction
这主要是由于反应数据库基于结构的检索方法与化学家解决问题的方法相去甚远。
The main reason is that the current reaction databases are based on substructure searching which is an approach quite different from that chemists often use.
对MDL化学反应数据库软件及计算机辅助设计在含能材料合成路线设计中的应用进行了阐述。
The basic principle and technology approach that applying MDL chemical reaction database software and computer aided design system in the synthetical routes of energetic materials are expounded.
结论:通过这种方法可以及时对病因假设进行初步验证,同时也为基于药品不良反应数据库开展相关研究提供了一种新思路。
Conclusion: in this way we can timely validate a pathogenic hypothesis and find a new way for developing the study that is based on the database.
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