Help building a database of organic compounds used in pharmaceuticals

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SUMMARY

This discussion focuses on building a database of organic compounds relevant to the pharmaceutical industry, specifically those containing heteroatoms at 15% or more by mass. Users are directed to ChemSpider, a comprehensive and free resource that aggregates data from multiple sources, as a starting point for their project. The conversation highlights the existence of established databases maintained by large teams, suggesting that new projects should consider leveraging existing resources.

PREREQUISITES
  • Understanding of organic chemistry, particularly compounds with heteroatoms.
  • Familiarity with database management concepts.
  • Knowledge of data aggregation techniques.
  • Basic skills in using online chemical databases like ChemSpider.
NEXT STEPS
  • Explore ChemSpider for data on organic compounds.
  • Research database management systems suitable for chemical data storage.
  • Investigate data aggregation methods for compiling chemical information.
  • Study existing pharmaceutical databases to identify best practices.
USEFUL FOR

Pharmaceutical researchers, chemists, database developers, and anyone interested in compiling or utilizing chemical data for drug development.

jen0leb
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Hello Guys,

So I'm trying to build a database of organic compounds that are of interest to the pharmaceutical industry. Most importantly compounds containing heteroatoms (>= 15% by mass). Where do i start!? any good websites or books, with a useful appendix you can tell me about?
I would really appreciate your feedback!

Cheers
 
Chemistry news on Phys.org
There are already huge databases like the one you are trying to make, and they are maintained by the large teams.

Go to chemspider.com (one of the free examples) and browse the data they show, they are already collected from many sources.
 
Thanks :)
 

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