NIH | National Cancer Institute | NCI Wiki  

Error rendering macro 'rw-search'

null

You are viewing an old version of this page. View the current version.

Compare with Current View Page History

Version 1 Next »

Chemical Names

 

2D structures

3D structures

SMILES strings

SMILES strings - 237,771 structures in SMILES format. This database contains essentially all open structures in the NCI database up until about June, 1995. It includes metal-containing compounds and other 'weird stuff'. It is therefore up to the user to ascertain the usefulness of any of these SMILES strings for the intended purpose. Because different conversion programs produce different output, two versions of the SMILES database are provided.

Converted using Babel

Converted using CACTVS

  • No labels