Integrative informatics

presentation · 11 years ago
by Andrew Lemon (The Edge)

ChemAxon products have traditionally been used to manage chemical information across a range of disciplines from synthetic chemistry, QSAR, ADMET and library design. Recently they have provided JChem for Excel which provides some support for chemistry in the traditional spreadsheet environment for scientists (biologists and chemists). We shall show a new type of spreadsheet called Morphit which provides new capabilities for analysing data for the chemist and biologist. We shall show how we've created plugins based on the ChemAxon technology to enable the chemistry data type within an analytical spreadsheet. Together with the ChemAxon components for viewing and display chemical structures we'll show curve fitting, and statistical analysis all within the same environment.