TABLE OF CONTENTS
- Description and how to use it
- Notes regarding coverage and supported names:
- Video introduction and presentation
Description and how to use it
The Chemical module is an optional additional module that must be added to a license. It is not a standard module that is included in all subscriptions by default. When included, the molecule search interface is part of the advanced search form.
The integration of this module in the advanced search screen allows the user to combine molecules searches with any other fields (keywords, classification, date or legal status limitation etc.).
The molecules can be searched in the Title, Abstract, Claims, Description, and/or Images/.mol fields by using a pull down menu on the right hand side.
By default, the system will search the exact structure you typed in the search box but it is also possible to search sub-structures.
Choosing the "sub-structure search" option allows for searching for the molecule with the replacement of any hydrogens with any atoms.
You can also add more molecules to search. From the form you can combine several molecules by using + sign on the left to add more fields.
They can be combined via an AND (both molecules needs to be found in the same document) or an OR (at least one molecules has to be found in the document). Molecules matching each searched molecule will be highlighted in different colors (these colors can be customized by clicking on the colored letters).
Notes regarding coverage and supported names:
- IUPAC names, common names and trade names are supported (no capital letters), even CAS number (all written forms are indexed by our partner ChemAxon™ so the search can be viewed as a search in a dictionary of synonyms).
- This is an exact text search: case-sensitive, no joker, no operator, accents are not supported, no plural, and only one molecule/search box.
- You can also use SMILES sequences as a text search. InChI and InChIKey must be imported through the sketcher, cf. How to search for a chemical molecule by drawing its chemical structure
- Molecules are extracted from CA, FR, DE, IL, EP, WO, US, KR, JP, GB, AU, CN, IN publications
- Molecules inside additional .mol files are only extracted from 2007 US publications (if those files are provided by the USPTO).
- Molecules are extracted from images inside US, WO, EP and JP publications from 2007 (if those files are provided by the corresponding Offices).
- Names containing isotopes are not supported.
- The search is case sensitive (CO is different from Co), acronyms have to be searched in upper cases (like DMSO or HMPA).
- Markush drawings can be used for search (as a combinatorial Chemistry search) but Markush drawings are not indexed themselves. cf. How to use Markush structure drawing
- NB: CAS number coverage is not 100%, you can try the IUPAC name if the CAS has not been found.
- Molecular formula is not a name and is not supported. This could also lead to multiple isomers.
- You can search for any salt by drawing the charged compound, blocking the other positions and using a substructure search, cf. How to search for a chemical molecule by drawing its chemical structure
Video introduction and presentation
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NOTE: Our new and improved Advanced Search is different than the one on this video. An updated video will soon be available.