Archive for February 16th, 2008

2008-02-16

Visualizing Molecular Structure / Property Correlations

Filed under: Chemistry,   Software — Geoff @ 9:56 am

Recently, I wrote to ask for suggestions in chemistry visualizations. Rajarshi Guha wrote in with several suggestions. One of the most interesting to me was to map results or numeric data to structures themselves:

In terms of mol vis itself, I’d like to see useful ways of mapping things to structures themselves - so fragment properties [...]

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