OChemDb: Open Chemistry Database

# Record card
131
Thematic areas
Chemicals & Physics
Chemicals & Physics / Inorganic substances
Chemicals & Physics / Organic substances
Description

The Open Chemistry Database, OChemDb, is a web portal for the research and analysis of crystallochemical information relating to organic, inorganic, metallorganic compounds, and provides statistical information on bond distances, bond angles, torsion angles, types of atoms and space groups. To obtain the above information, OChemDb queries a database, appropriately designed, that contains crystalline structures already resolved. Its ease of use is extremely useful for structural chemistry, in particular during the final phase of checking and evaluating the reliability of the structural solution obtained and relating to a new structure, to investigate the nature of a 'doubtful' chemical bond, for estimate reasonable bond distances and angles to be used as chemical constraints in a structural refinement process. OChemDb is therefore very useful for research groups and companies interested in the knowledge of the crystalline structure of materials, for example chemical and pharmaceutical companies.

Business fields
Industry
Services
Type of innovation
Service/know how innovation
Description of innovative features / Competitive advantages

Compared to other statistical analysis software on required crystallochemical information, specifically bond distances and angles, torsion angles, types of atoms and spatial groups, OChemDb, at national and international level, offers a simplicity of use supported by a graphical user interface. friendly. These features allow you to get quick answers to effective use even by non-experts. An important aspect is also represented by the fact that the API layer implemented in OChemDb allows to integrate the data stored in third-party software.

Reference market
Impacts on existing markets
Development stage
Industrialization
TRL
8
Advantages
New product/process/service/technology
Patentable technology
No
Patented technology
No
Publication of technology
Published
Technology validation/demonstration
External validation
Market positioning
Italian
European
International
Partner required
Enteprise
Private research center

Information
For more information and/or to be put in contact with the Research Team, please contact the Project Manager:

Barbara Angelini - Project Manager
CNR - Unità Valorizzazione della Ricerca
Phone number 06.49932415
E-mail barbara.angelini@cnr.it