Volume 3, Issue 6; December 2001
Editor: Jonathan M Goodman
- Deep web searching
- The 'deep web', also called the 'invisible web' is the huge amount of information
stored in on-line documents and databases which most general-purpose web crawlers
cannot reach. It is estimated that the deep web may be 500 times bigger than the
'surface web'. The USA Department of Energy's
Science and Technical Information Office is searching the deep web.
- NASA release classic software
- NASA has released a large archive of
software, to celebrate its birthday.
- Machine Learning Journal
- Forty people resigned from the editorial board of the Machine Learning Journal,
and joined the editorial board of the Journal of Machine Learning Research, which is free, and does not demand copyright transfer.
Is this the furture of academic publishing?
The Scholarly Publishing and Academic Resources Coalition (SPARC) documents how low-cost
publication alternatives are being used in many areas of science.
- Exposure Assessment Tools and Models
- The US Environmental Protection Agency makes
tools available to assess the danger of exposure to chemicals.
- Chemical Carcinogen Reference Standard Repository
- The National Cancer Institute (NCI) operates repositories through subcontractors
that supply standard compounds for cancer research.
- ChemExper
- ChemExper provides a chemical directory, to which anyone can submit data.
It currently has more than 70 000 chemicals. How reliable are these data?
- Beilstein Institute
- Not to be confused with Beilstein, the database operated through Elsevier,
the Beilstein Institute is a non-profit making foundation for chemistry. It has recently
set up a Chair of Chemoinformatics at Frankfurt am Main
- Chemical Education Foundation
- This foundation "offers publications and information about product stewardship"
and it is "a credible source for information".
- Molecular Modelling Programs
- This list excludes the big commercial offerings and concentrates
on programs for which the source code is available in some form.
Usually there is a license agreement.
- Tinker
- Free; full source code (Fortran); written in the
Ponder Lab.
- What If
- "a versatile protein structure analysis program
that can be used for mutant prediction, structure
verification, molecular graphics, etc"
- Cheap; A Windows version and Unix version are available.
- B
- B, formerly Biomer; Free; Source Code; Java
- MMTK
- Open Source Project; Mainly written in Python,with a small amount of C;
Konrad Hinsen, from CNRS Orleans
- Ghemical
- a computational chemistry software package released under the
GNU GPL;
C++; Linux
- InterChem
- Free to academics
- GAMESS-UK
- Ab initio calculations
- NWChem
- ab initio calculations
- CHI's chemical informatics glossary
-
- Reality Grid
- Moving the bottleneck out of the hardware and back into the human mind
- 6th International Conference on Chemical Structures
-
© 2001 J M Goodman, Cambridge
