This is a guide to finding information on medicinal chemistry, quantitative structure-activity relationships, combinatorial chemistry, molecular drug design. Other sections of Chemistry resources may also be relevant. If you are a 3rd year Chemistry student, do the Library tutorial before looking for literature.
Databases can be searched for journal articles and often contain a selection of data.
SciFinder Scholar includes two databases relevant to medicinal chemistry, Chemical abstracts and Medline. For example, for articles on QSAR of a substance, search SciFinder Scholar for the substance and, at the results screen, choose Analyze/Refine to refine the search by Research topic using, for example, terms like:
qsar(quantitative structure activity relationship)
You may need to try a variety of search terms. To increase your search result, use any useful articles as a source of further search terms. Check their abstracts and indexing sections for possible search terms.
Also consider refining the substance search by document type Review. Review articles survey the substance and have references to other articles. They may be particularly useful for the historical development of a drug.
SciFinder Scholar sometimes gives calculated and experimental properties in the database itself, especially for pharmaceutical substances. Find the substance through a structure, name or formula search, and click its microscope icon to display the full substance record.
- PubChem, National Library of Medicine - has structures, Lipinski's rules properties (XlogP, MW, hydrogen bond acceptor and donor counts), bioassays for small organic compounds, searches for similar compounds, links to articles in PubMed (Medline).
- ChemBank: Small Molecule Bioactives Database, National Cancer Institute - chemical structures and biological activity data for small molecules.
- Distributed Structure-Searchable Toxicity (DSSTox) Public Database Network, U.S. Environmental Protection Agency.
Web sites include:
Pharmacopoeias with drug data are in the Barr Smith library Reference collection, Level 3 at call number 615. These works often list a few key literature references that are worth following up.
See also reference works in Organic compounds e.g.
Dictionary of organic compounds.
For definitions of terms and explanations of QSAR, see:
To find books, search the Library catalogue for keywords or subject headings such as:
615.19 is a key call number for drug design.