ECTOC Hyperglossary

Submit an entry|List an entry|Search an entry

A hyperglossary is essentially a database of terms cross-indexed to related and derived properties and presented on-screen as a hypertext document. This page provides an opportunity to submit a molecule in any of several supported formats. Programs and scripts in the background will process this information, filling out any missing fields (such as the molecular weight) and create an entry in the database.

Submit an entry to the Hyperglossary

To submit a molecule, determine the file type of the molecule and select it on the form (default pdb type). Incorrect file types will prevent the molecule from being submitted. Insert relevent information in the other boxes. Next, open the molecule datafile in a text file editor (e.g. Microsoft Word), highlight the whole text in the file and copy it to the clipboard. Return to this page, insert the cursor in the final box and paste the clipboard contents here. Press the submit button to enter the molecule to the hyperglossary.

A 2D MDL molfile is one normally exported from drawing packages, such as ChemDraw or ISIS Draw. These molecules will have the stereochemistry represented by wedges and dashes rather than absolute atom positions as defined by the other 3D molecular file types.

ECTOC-1 Paper Number (e.g. 1-77 or general if your molecule has no paper association)

Molecule name/subject

Keywords for indexing (e.g. enzymatic reduction ketones)

Original URL of Molecule (if any, e.g. http://yoursite/yourdirectory/yourmolecule.pdb)

Comment on the molecule (will be truncated at 256 characters)

Type of molecule file

Please paste the molecule file into this area (as TEXT)

Please note that it may take 30 seconds or so to process an entry. If it takes less, chances are a parsing error occurred somewhere. Unfortunately, the variation in pdb file formats is so great, this happens too often! We are working on it.

List entries in the Hyperglossary

To look at a list of all the molecules currently held on the glossary, click below.

Search for entries in the Hyperglossary

Enter a word, or a molecular formula or a SMILES string to search the hyperglossary, e.g. amino or C2H5O or C1=CC=CC=C1

keyword search Home page
Written by Chris Leach,