For access to most of the Cheminformatics services listed below,
participation in the Dutch academic
Cheminformatics Consortium is required.
Some of these services are freely
available for non-participants.
- Synthesis Planning:
- LHASA, an expert system to assist organic
chemists in the design of efficient routes to target molecules.
- Reaction and Structure
- CrossFire, a chemical database
system containing a very large database of compounds and their
properties, reactions, and citations (including abstracts).
- ISIS, a chemical information management
system containing a compound database and several reaction databases.
- 3-D Structure Retrieval:
- CSD, the Cambridge
Crystallographic Database with programs ConQuest, Quest, Pluto, and
Vista. X-ray and neutron diffraction studies on organic compounds,
organo-metallic compounds and metal complexes.
- ICSD, X-ray analyses
of inorganic compounds. Searchable using CRYSTIN software from
Hundt and Sievers, Univ. of Bonn, Germany or Hewat's WWW interface.
- Modelling and
- SYBYL, Tripos'
MM/MD program with Basic, BioPolymer, Advanced Computation,
Dynamics, Composer and QSAR/CoMFA Modules.
a general-purpose semiempirical molecular orbital package
for the study of solid state and molecular structures and
reactions, written by James J.P. Stewart.
- Visualisation Tools and
a visualization program of molecular and electronic structures.
a program for the visualization of proteins and nucleic acids.
a file format conversion program.
a versatile file and session manager.