Tag Results

Items tagged with "malaria" (1)

Note: some items may not be visible to you, due to viewing permissions.

Workflows (1)

Bioclipse Scripting Language

Original Uploader

Egon Willighagen

Count the number of MetaPrint2D predicted metabolization sites for the Novartis malaria data (v1)

Created: 04/08/10 @ 16:41:35 | Last updated: 04/08/10 @ 16:42:15

Credits: Egon Willighagen

License: Creative Commons Attribution-Share Alike 3.0 Unported License

MetaPrint2D (doi: 10.1186/1471-2105-11-362) is used to calculate the number of red, orange, and green markers that indicate how likely an atom in the drug is metabolized (read the paper for the fine prints). It counts them for each molecule and reports them, as a set of three molecular descriptors that could potentially correlate with how well the molecule is metabolized (hypothesis).

Rating: 0.0 / 5 (0 ratings) | Versions: 1 | Reviews: 0 | Comments: 0 | Citations: 0

Viewed: 9 times | Downloaded: 7 times

Tags (6):