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A panel of MACRO descriptors with a unique definition and the ability to evaluate each descriptor against any molecule.
KeeBrainNet Bioinformatics Site. (2010). The CDK Descriptor Calculator. Available from:
The following is an excerpt from the website:
Note, a descriptor may be evaluated against any molecule in a group using a different colour. For example, to evaluate a set of descriptors against a given set of molecules, simply search within the group.
The “Group” menu shows the set of CDK descriptors and the “Molecules” menu shows the set of molecules in the current group. By default, all descriptors will be evaluated though it is easy to select individual descriptors or groups of descriptors. Use the “Cancel” button to return to the molecular editor, or click “Open File” to import a file containing the molecular structures.Q:

Upgrading data in a dictionary while preserving keys in python

I am fairly new to Python and I am having an issue on a seemingly simple task. I have a dictionary that has 2 values for each key and I need to update the values in the dictionary while retaining the keys.
My dictionary looks like:
dic = {‘key1′:’some value 1’, ‘key2′:’some value 2’, ‘key3′:’some value 3’}

After updating the values in the dictionary I need to look like this:
dic = {‘key1’: ‘updated some value 1’, ‘key2′:’updated some value 2’, ‘key3’: ‘updated some value 3’}

This is the code I have tried:
for i in dic.values():
for k in dic:
if k == i:
dic[i] = ‘updated some value {}’.format(i)

But this gives the following result:
dic = {‘key1’: ‘updated some value 1’, ‘key2′:’updated some value 2’, ‘key3’: ‘updated some value 3’}

which is not what I am looking for.
Any help would be greatly appreciated!
Thanks,
Kirsten

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