CHEMINFO and Groth The Web and Chemistry Gary

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CHEMINFO and Groth: The Web and Chemistry Gary Wiggins Chemistry Library wiggins@indiana. edu IU Forum on Digital Libraries April 16, 2002

CHEMINFO: Chemical Information Sources n n n http: //www. indiana. edu/~cheminfo Resource Guides Instructional Materials Archives of CHMINF-L: the Chemical Information Sources Discussion List Databases

CHEMINFO Resource Guides n SIRCh: Selected Internet Resources for Chemistry http: //www. indiana. edu/~cheminfo/cis_ca. html n CCIIM: Clearinghouse for Chemical Information Instructional Materials http: //www. indiana. edu/~cheminfo/cciimnro. html

Taxonomy (Classification) http: //www. indiana. edu/~cheminfo/cis_ca. html

SIRCh Index http: //www. indiana. edu/~cheminfo/cisindex. html

SIRCh: Selected Chapter Titles http: //www. indiana. edu/~cheminfo/cis_ca. html

SIRCh: Analytical Chemistry http: //www. indiana. edu/~cheminfo/ca_accc. html

CHEMINFO Instructional Materials http: //www. indiana. edu/~cheminfo/instructional_materials. html n Four one-hour undergraduate courses (C 371 -2, C 471 -2) n Two three-hour graduate courses C 571 -2)

CHMINF-L: Chemical Information Sources Discussion List http: //listserv. indiana. edu/archives/chminf-l. html n In existence since May 1991 Over 1250 subscribers n Sponsors: Chemical Information Sections of n n n American Chemical Society Special Libraries Association Royal Society of Chemistry American Society for Information Science & Technology

CHMINF-L Archives as a Knowledge Base n n Many librarians on CHMINF-L, which began in May 1991. Search for the History of Chemistry found 226 entries found on 4/14/02, e. g. , n n n Alchemy pictures History of the journal Chemical Physics Letters The chemistry of embalming

CHEMINFO Databases n Chemical Acronyms Database http: //scilibs. chem. indiana. edu/cfdocs/libchem/searchu. html n Mentioned in Science, February 2002 n Chemical Reference Sources Database http: //www. indiana. edu/~libchem/crsd. html n Faculty Publications of the IU Chemistry Dept. http: //www. indiana. edu/~libchem/introductiond. html n IU Molecular Structure Center http: //www. iumsc. indiana. edu/

Groth, P. (Paul), 1843 -1927. Chemische Krystallographie n n n Leipzig: W. Engelmann, 1906 -19. 5 v. T. 1. Elemente: Anorganische Verbindungen ohne Salzcharakter. Einfache und complexe Halogenide, Cyanide und Azide der Metalle, nebst den zugehörigen Alkylverbindungen. T. 2. Die anorganischen Oxo- und Sulfosalze. T. 3. Aliphatische und hydroaromatische Kohlenstoffverbindungen. T. 4. Aromatische Kohlenstoffverbindungen mit einem Benzolringe. T. 5. Aromatische Kohlenstoffverbindungen mit mehreren Benzolringen heterocyclische Verbindungen.

Groth: Access Database n Portion of the table with chemical names, molecular formulas, SMILES, and links to images on the Web.

Groth: Image from page 4: 6 n http: //www. indiana. edu/~cheminfo/Groth/groth 400006. pdf

XMorph Rendering of a Crystal

SMILES input for Structure Searching

SMILES for 1, 2, 3 -Tribromobenzene

Future Developments n n Metadata coding and XML for selected CHMINF-L Web pages Links to XMorph renderings from the Groth database Structure searching of the Groth database with JME Molecular Editor input of SMILES Put DB on the Web with Cold Fusion

Acknowledgments n CHEMINFO n n SLIS students, especially Keith Schreiber & Sonia Gupta Professional society sponsors (ACS, RSC, SLA, ASIST) UITS personnel, especially Peg Bassett Steve Rosenthal, Chemical Abstracts Service n Groth n Chemical Informatics students, especially: n n n IUB Libraries Digital Library Program, especially: n n n Ronald M. Brown Dustin M. Hilkey Alicia M. Prater Ronald D. Willis Jenn Riley Dedong Wu for XMorph Peter Ertl for JME Molecular Editor John Bollinger of the IU MSC UITS for Veritas

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