Chemicalize Search

Structure-based and text-based chemical search in a comprehensive and up-to-date database collected from patents, journals, and other data sources.

Chemical Structure Search

Chemical structure search and the chemically intelligent document search let you perform structure-based and text-based searches against Chemicalize’s continuously growing and up-to-date database of patents and journals. The database currently contains millions of documents and extracted structures collected from USPTO granted patents, PubMed central, Wikipedia, and Selected Organic Reaction Database (SORD). Besides exact structure search, substructure and similarity search are also supported. Search hits are ordered by relevance. Chemicalize search will be a valuable part of your literature search strategy, whether you simply want to complete your homework, or collect data for your publication or research project.

Find Structures for Various Chemical Names

A chemical structure can be represented by numerous names and identifiers (IUPAC name, common name, SMILES, InChI, InChIKey, CAS number, etc). Our naming technology is capable of recognizing and indexing chemical structures regardless of the format, as well as making documents searchable in chemically intelligent way.

Advanced Structure Search

Beyond finding documents that exactly mention your query structure, you can also search for similar chemical compounds (similarity search) or structural patterns (substructure search). You can also define fuzzy queries with variable structural parts (atom variation, bond variation, position variation, etc.) to make your search more flexible.

Combine Structure Search and Text Search

You can refine your search by combining structural queries with additional text criterias (disease area, biological effect, etc.) to increase the relevance of the results. Complex queries can also be defined using wildcard characters, phrase search, proximity and boolean operators.