Scholarly Works - Unilever Centre for Molecular Informatics: Recent submissions
Now showing items 1-4 of 51
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Reproducible Physical Science and the Declaratron
(Murray-Rust; Unilever Centre for Molecular Informatics, Chemistry, University of Cambridge, 2013-07-05)The Declaratron is a semantic engine for formalising mathematics and science in publications -
Applications of the InChI in cheminformatics with the CDK and Bioclipse.
(Springer Science and Business Media LLC, 2013-03-13)BACKGROUND: The InChI algorithms are written in C++ and not available as Java library. Integration into software written in Java therefore requires a bridge between C and Java libraries, provided by the Java Native Interface ... -
Quantifying the shifts in physicochemical property space introduced by the metabolism of small organic molecules
(Springer Science and Business Media LLC, 2013-03) -
In silico target prediction: identification of on- and off-targets for crop protection agents
(Springer Science and Business Media LLC, 2013-03)
