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Meredith-Lab / volcalc

volcalc: Calculate Volatility of Chemical Compounds
https://meredith-lab.github.io/volcalc/
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Include better example .mol files in inst/extdata #79

Closed Aariq closed 9 months ago

Aariq commented 10 months ago

The current example mol files in inst/extdata/ are maybe not the best examples:

I think it would be good to replace these with more biologically relevant compounds that span a greater range of volatility.

Ideas:

Aariq commented 10 months ago

Thoughts @ledfordmarshall @laurameredith?

Aariq commented 10 months ago

Or maybe I'm being too much of a biologist here and there are better example compounds that span fields better.

laurameredith commented 10 months ago

Those are great examples, I like those

On Mon, Oct 23, 2023 at 6:35 AM Eric R. Scott @.***> wrote:

Or maybe I'm being too much of a biologist here and there are better example compounds that span fields better.

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