Blogs about: Myexperimentorg
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Time evaluation for calculating molecular descriptors using the cdk
To estimate the time needed to calculate molecular descriptors for many molecule (more than 200000) I created a workflow which measured the time needed to calculate each molecular descriptor. This wor… more →
CDK-Taverna Blog
Time evaluation for calculating molecular descriptors using the cdk
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cdktaverna wrote 1 year ago: To estimate the time needed to calculate molecular descriptors for many molecule (more than 200000) … more →
Atom typing on natural products with the cdk
cdktaverna wrote 1 year ago: During some work on natrual products I analysed a proprietary database with over 180000 molecules wi … more →
myexperiment.org plug-in for Taverna
cdktaverna wrote 1 year ago: I have just installed the myexperiment.org plug-in for Taverna and I am really excited about its pos … more →
CDK-Taverna at www.myexperiment.org
cdktaverna wrote 1 year ago: www.myexperiment.org is an open platform which allows users to share their workflows. Today I starte … more →
