Chemical graph generator
A chemical graph generator is a software package to generate computer representations of chemical structures adhering to certain boundary conditions. The development of such software packages is a research topic of cheminformatics. Chemical graph generators are used in areas such as virtual library generation in drug design, in molecular design with specified properties, called inverse QSAR/QSPR, as well as in organic synthesis design, retrosynthesis or in systems for computer-assisted structure elucidation (CASE). CASE systems again have regained interest for the structure elucidation of unknowns in computational metabolomics, a current area of computational biology.
Wikipage redirect
Link from a Wikipage to another Wikipage
primaryTopic
Chemical graph generator
A chemical graph generator is a software package to generate computer representations of chemical structures adhering to certain boundary conditions. The development of such software packages is a research topic of cheminformatics. Chemical graph generators are used in areas such as virtual library generation in drug design, in molecular design with specified properties, called inverse QSAR/QSPR, as well as in organic synthesis design, retrosynthesis or in systems for computer-assisted structure elucidation (CASE). CASE systems again have regained interest for the structure elucidation of unknowns in computational metabolomics, a current area of computational biology.
has abstract
A chemical graph generator is ...... area of computational biology.
@en
Link from a Wikipage to an external page
Wikipage page ID
66,452,088
page length (characters) of wiki page
Wikipage revision ID
1,016,467,073
Link from a Wikipage to another Wikipage
wikiPageUsesTemplate
subject
comment
A chemical graph generator is ...... area of computational biology.
@en
label
Chemical graph generator
@en