Chemical database

ChemSpider is a free chemical structure database providing fast access to over million structures, properties and associated information. This information is about chemical and crystal structures, spectra, reactions and syntheses, and thermophysical data. Types of chemical databases.

The Internet now offers a diverse array of free online chemistry databases , twelve of which were summarized in a . Chemical information is in the early stages of a revolution. These databases gives information which can be used to build knowledge-based models for discovering and designing drug molecules.

Here, we have provides list of major databases that . Information from previous legislation. I also would use InstantJChem from ChemAxon. The search for scientific information usually starts with free internet search engines. , probably the most extensive encyclopedia, provides quick information and a good start into a new topic.

However, an ordinary search engine . NIST Standard Reference Database SRD Number 69. View: Search Options, Models and Tools, Special Data Collections, Documentation, Changes, Notes .

CAS provides accurate and authoritative chemistry content, curated and quality- controlled by hundreds of Ph. CAS content covers all disclosed chemistry and related science from thousands of journals and patent authorities, as well as reputable Web sources, dissertations, books , . From the desk of Nigel R. The chemical database of today is inextricably linked to several historical threads, not all of them chemical, that began a long time before the modern computational world existed. Understanding these origins provides a deeper understanding of . Database searches based on possible requirements for biological activity can identify compounds that might be suitable for further analysis or indicate novel ways to achieve the desired activity. What considerations are involved in the . Molecule database framework: a framework for creating database applications with chemical structure search capability.

Joos KienerEmail author. Please check the links for further information on the chemistry databases provided by CSC. CSD – Cambridge Structural Database System and the related Mercury,ConQuest, SuperStar, IsoStar, and Mogul programs. Reaxys – Database for organic and inorganic chemistry. Includes Beilstein, Gmelin . OSHA maintains this chemical database as a convenient reference for the occupational safety and health community.

It compiles information from several government agencies and organizations. BIOVIA ACD is one of the largest . THOR (THesaurus Oriented Retrieval) is a chemical database system.

That is, it is specifically designed to store and retrieve chemical information efficiently. Because THOR has built-in knowledge about chemical graph theory, it achieves high performance when storing chemical information. And more importantly, because . The primary focus is on activities monitoring the ambient environment.

Several types of monitoring activities have been excluded from the database , including contaminated sites, point sources and industry monitoring.