Instant Cheminformatics Solutions

Chemicalize is a powerful online platform for chemical calculations, search, text processing, and name-structure conversion using ChemAxon's cutting-edge technology. This service is fully cloud-based, it can be accessed at without any IT or software maintenance costs. All data is handled as confidential information, proprietary compounds can be analysed in a secure environment. The service makes ChemAxon technology, used by top pharma companies, easily accessible for both corporate and academic users.

Calculations and predictions

Calculation view provides structure-based calculations and predictions for any molecule structures. You can give any chemical names or identifiers, or draw a chemical structure as an input. The result page will return the basic properties like the structure itself, its 3D visualization, the molar and exact mass or a check of Lipinski's rule of five. You can pick what further information you want to learn about. Based on your request, Calculation view can list structural properties (like atom count, Hydrogen bond acceptor count, topological polar surface area, polarizability etc.), other chemical names and identifiers (like IUPAC name, SMILES, InChI, etc.) and pKa, isoelectric point, logP, logD, solubility, H-NMR and Geometrical values. You can retrieve the results of a previous search in your activity history. Batch calculation processes are also available for files containing multiple molecules (SDF, MRV, SMILES, etc.).

Calculation view of Chemicalize, listing basic properties and pKa value

Chemical search

The chemical structure search view and the chemically intelligent document search view lets you perform text- and structure-based searches against the continuosly growing and up-to-date patent and journal database, containing millions of documents. The results will help to find relevant sources in literature, to support your work at novelty check, idea generation or simply collecting data for publication or research project.

Document Search in Chemicalize's patent and journal database

Compliance Checker

Compliance view, lets you check your compounds against national regulations in several countries worldwide; for substances such as: narcotics, psychotropic drugs, explosives, hazardous materials, and toxic agents. Compliance Checker fuels the search in our up-to-date regulated compounds database.

Compliance Checker integrated in Chemicalize looks for controlled substances

Web page annotation

The Web viewer feature of Chemicalize was the original function of the web application. You can use any URL from a web page as input, Web viewer will parse the page and highlight all the chemical content on the page. The list of identified chemical structures, with the number of occurance in the top left corner, will be displayed on the left side of the screen. IUPAC and common names, InChI and SMILES identifiers are recognized. If you select a chemical structure from the list, the related names and identifiers will be highlighted in the text of the web page.

Web Viewer function of Chemicalize, annotating the Caffeine page of Wikipedia


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