Finding Chemical Information CHEM 484

1
Finding Chemical InformationCHEM 484

• Svetla Baykoucheva
• White Memorial Chemistry Library
• sbaykouc_at_umd.edu

2
Introduction

• Effective use of chemical information helps
• Avoid duplicating previous work
• Become a better researcher
• Prepare for future careers
• Sources of Chemical Information
• Primary Sources
• Secondary Sources

3
Primary Literature

• Periodicals
• Electronic Journals
• Print Journals
• Preprint Servers
• Books
• Dissertations
• Patents
• Technical Reports

4
Secondary Literature

• Proprietary databases provide access to the
  intellectual content of journals, patents,
  conference proceedings.
• Chemical Abstracts (SciFinder Scholar)
• Science Citation Index (Web of Science)
• Beilstein/Gmelin (CrossFire, DiscoveryGate)
• Free Web resources (Google Scholar, PubMed,
  PubChem)

5
Handbooks

• CRC Handbook of Chemistry and Physics
• Langes Handbook of Chemistry
• NIST Chemistry WebBook
• Perrys Chemical Engineers Handbook
• The Merck Index
• Reagents Chemicals
• The Sigma-Aldrich Catalog
• Fluka Chemie AG Catalog

6
Encyclopedias

• Kirk-Othmer Encyclopedia
• Ullmanns Encyclopedia of Industrial Chemistry
• Encyclopedia of Polymer Science and Engineering

7
Property Data

• CRC Handbook of Chemistry and Physics
• NIST Standard Reference Databases
• NIST Chemistry WebBook http//webbook.nist.gov/ch
  emistry/
• Landolt-Bornstein
• CHEMnetBASE
• http//www.chemnetbase.com/

8
Spectral Data

• NIST Chemistry WebBook http//webbook.nist.gov/ch
  emistry/
• Integrated Spectral Database for Organic
  Compounds (SDBS)
• http//www.aist.go.jp/RIODB/SDBS/cgi-bin/cre_inde
  x.cgi
• CHEMnetBASE (Properties of Organic Compounds)
  http//www.chemnetbase.com/

9
SciFinder Scholar

• Comprehensive coverage of research articles and
  patents in chemistry and the life sciences
  Consists of five different databases
• Chemical Abstracts
• Medline
• Chemical Abstracts Registry File
• CAS Reacts
• ChemCATS

10
CAS Registry Numbers (CAS RN)

• Uniquely identify a chemical substance assigned
  sequentially to the chemical substances when they
  are entered into the CAS Chemical Registry
  System.
• Have three parts xxxxx-yy-z. The first group of
  numbers (x) can vary between 2 and 6 digits The
  second group (y) is always 2 digits, and The
  third (z) is always 1 digit. Sometimes the number
  is written in brackets 107-21-1.

11
Web of Knowledge

• A combination of three databases
• Science Citation Index
• Social Science Citation Index
• Arts and Humanities Citation Index
• Web of Science (part of Web of Knowledge)
• Journal Citation Reports/Impact Factor
• Essential Science Indicators

12
ChemFinder.comhttp//chemfinder.cambridgesoft.com
/

• Search by Chemical Name, CAS Number, Molecular
  Formula or Weight.
• Sub-structure Queries
• Access by corporations, academic institutions and
  government organizations is granted on an
  enterprise subscription basis.

13
http//www.webelements.com/webelements/scholar/ind
ex.html
14
E-Notebooks

• Provide a web-based interface designed to replace
  paper laboratory notebooks.
• Contain Excel spreadsheets, Word documents,
  ChemDraw drawings and reactions and spectral
  data.
• Can be searched by text, structure or reaction.

15
ChemOfficehttp//products.cambridgesoft.com/famil
y.cfm?FID1

• Transforms your PC into a chemical and biological
  publishing, modeling, and database workstation.
• Includes ChemDraw, Chem3D and ChemFinder Ultra
  BioAssay Ultra, BioDraw Ultra, E-Notebook Ultra,
  Model Explorer, 3D Query/Finder, CombiChem/Excel.

16
www.chemdex.org(Portal)

• Areas of coverage Analytical chemistry,
  Biochemistry biological chemistry, Bioinorganic
  chemistry ...
• Communication Conferences, Journals, ListServ
  discussion groups
• Companies Chemical suppliers, Equipment and
  instrument suppliers
• Compounds, Molecules, Elements
• Government Agencies and Laboratories
• Learned Societies
• Miscellaneous sites Computers and networking,
  General purpose search engines, Jobs ...
• People (Sites concerning individual chemists)
• The Periodic Table
• University chemistry departments and departments
  in related areas