is organized by journal titles and publication dates—not
by employing concepts of chemical composition or molecular structure.
Here, we present indexes, based on molecular formula and
chemical identifiers, that allow access to exactly
those ThermoML publications which contain thermodynamic
data (pure compound and mixture data) for a formula or
selected from one of the following indexes:
Chemical formula index
Chemical name index
These indexes are frequently updated as new ThermoML publication
become available. Each index is linked to a page containing one or more
ThermoML references, providing bibliographic data and links
(DOI and/or ThermoML file access).
Why chemical indexes online?
Chemists are familiar with indexes such as the The Merck Index
or the indexed tables in editions of the CRC Handbook of Chemistry
and Physics. Due to advances of chemical online databases and their
search and matching options, most
scientists today are more familar with such interfaces than
with “traditional” index-based systems. Nevertheless,
chemical indexes—even online—still have their advantages!
First, an index does not require any typing: you just select, via
scroll'n click, from what is presented, while getting a real-time overview
of what is available. Second, index-based mark-up and representation adheres
to the open-source mantra as long as the indexes are encoded in an
an exchangeable and defined format such as XML. The chemical index,
formula, and compound pages, accessible herein, are all encoded
using (X)HTML5. You are invited to put XML functions, available with
programming and scripting language such as Python, Perl and PHP,
to your advantage and search, extract or reorganize the data
in these files to your needs. We use the
to annotate chemical elements and compounds compiled in our
HTML pages presenting ThermoML library data.