Chemistry

PubChem is an open chemistry database at the National Institutes of Health (NIH). “Open” means that you can put your scientific data in PubChem and that others may use it. PubChem mostly contains small molecules, but also larger molecules such as nucleotides, carbohydrates, lipids, peptides, and chemically-modified macromolecules. There is information on chemical structures, identifiers, chemical and physical properties, biological activities, patents, health, safety, toxicity data, and many others.

ChemSpider is a free chemical structure database providing fast text and structure search access to over 67 million structures from hundreds of data sources.

ChemIDplus is a free, web search system that provides access to the structure and nomenclature authority files used for the identification of chemical substances cited in National Library of Medicine (NLM) databases. ChemIDplus also has structure searching and direct links to resources at NLM, federal agencies, U.S states, and scientific sites. The database contains more than 400,000 chemical records, of which over 300,000 include chemical structures.

The CCDC and colleagues continually produce educational materials for use in classroom and computer lab settings, or as independent study modules. Many of these materials make use of the Teaching Subset - a freely available set of over 750 structures that can be investigated with the free version of our Mercury visualisation and analysis program. Of course, our database of over one million entries are available for free through our Access Structures portal.

MolView is an intuitive, Open-Source web-application to make science and education more awesome! MolView is mainly intended as web-based data visualization platform. You can use MolView to search through different scientific databases including compound databases, protein databases and spectral databases, and view records from these databases as interactive visualizations using WebGL and HTML5 technologies. This web application is built on top of the JavaScript libraries and online services listed below. The Virtual Model Kit has been a source of inspiration for the birth of this project.