BIOINFORMATICS

Symyx Draw

23 October 2007

Symyx

Symyx Technologies has integrated tools from ACD/Labs into its Symyx Draw software. The add-ins, which will be free to Symyx Draw customers, will allow users to calculate physical properties, generate IUPAC nomenclature, and predict NMR chemical shifts from within the chemical drawing software.

Users will be able to calculate molecular properties such as pK(a), logD, logP and solubility. The add-ins can also predict (13)C NMR and (1)H NMR chemical shifts and coupling constants, as well as 2D NMR spectra. Calculators for factors, adsorption coefficients and boiling points have also been included.

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