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For Workflow: Scoring small molecules for metabolite likeness/ Natural product likeness
Scoring small molecules for metabolite lik... (2)
Prerequisite:
- CDK -Taverna Plugin 0.5.1
http://www.ts-concepts.de/cdk-taverna2/plugin/
- To run this workflow the atom_signatures file of Natural product(NP), Synthetic Molecules(SM) and query structures are needed
- This could be generated from GenerateAtomSignatures.t2flow
http://www.myexperiment.org/workflows/2120/download?version=1
Description of input ports :
NP_file: needs precomputed Atom_signatures of desired Natural product structu...
Created: 2011-05-13 | Last updated: 2012-03-18
Credits: Kalai