Materials Matter!

CurlySMILES Project

CurlySMILES Examples

ThermoML via chemical identifier

Chemical microdata

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Terminology & Nomenclature

Axeleratio develops concepts and computer-based solutions in chemistry and nanoscience. Check out current portals, projects and products:

Materials Matter (MM!). Materials Matter! is a portal for search and chemical materials navigation. MM! uses a subset of CurlySMILES to locate and document materials data based on chemical composition, impurity, physical state, nanostructure and structural arrangements and architectures. Both peer-reviewed journal articles and relevant web resources are found, depending on the target material. Presentation of target analogues and compositional neighbors supports chemical similarity search and exploration of chemical diversity. MM! invites user contributions via sniplink authoring.

CurlySMILES Project. CurlySMILES is a chemical annotation and query language. The CurlySMILES Project is work in progress on a flexible, customer-friendly grammar and syntax for an efficient language to encode molecular structures and materials in a supramolecular context. CurlySMILES Python Modules for managing and parsing CurlySMILES notations are available as open-access software package under GNU GPL terms. Applications of CurlySMILES include communication, search, and modeling of data and expertise in chemistry, materials science and nanotechnology.

ThermoML direct. Axeleratio's index-based ThermoML Portals provide direct access to article references and associated XML-encoded physicochemical property data via chemical name and formula. The original open-access ThermoML Archive is organized by journal issue and publication date. There, peer-reviewed thermochemical and thermophysical data are accessible through corresponding ThermoML files, which include chemical identifiers such as name, formula, and, in certain cases, CAS registry number. Axeleratio has developed software tools to convert the archive from an article to chemical structures presentation to chemical-structure-to-articles access. Updates to Axeleratio's Name Index and Formula Index are made frequently to include additional compounds in response to new ThermoML publications.