Chemical Documentation

Collaborative decision support and documentation in chemical safety with KnowSEC

To protect the health of human and environment, the European Union implemented the REACH regulation for chemical substances. REACH is an acronym for Registration, Evaluation, Authorization, and Restriction of Chemicals. Under REACH, the authorities have the task of assessing chemical substances, especially those that might pose a risk to human health or environment. The work under REACH is scie...

Documentation for the CHemical Equilibrium Program Package CHEPP

A program package has been developed that calculates chemical equilibrium and thermodynamic properties of reactants and products of a combustion reaction between fuel and air. The package consists of the following four parts: 1) A program for calculating chemical equilibrium. 2) A database that contains thermochemical information about the molecules, which comes from the GRI-Mech tables. 3) A G...

From chemical documentation to chemoinformatics: 50 years of chemical information science

This paper summarises the historical development of the discipline that is now called ‘chemoinformatics’. It shows how this has evolved, principally as a result of technological developments in chemistry and biology during the past decade, from long-established techniques for the modelling and searching of chemical molecules. A total of 30 papers, the earliest dating back to 1957, are briefly s...

Documentation of the Saprc-99 Chemical Mechanism for Voc Reactivity Assessment Volume 1 of 2 Documentation Text

Reuse Documentation and Documentation Reuse

This work has been supported by the Austrian Fonds zur Förderung der wissenschaftlichen Forschung. The reuse of application frameworks and class libraries can improve the productivity in software development considerably. Object-oriented techniques, i.e., inheritance and information hiding, that ease reusing software, can be applied to documentation and thus, enable documentation reuse. One can...