Predict chemical solubility in solvents

Created: 2010-08-04 11:42:55 Last updated: 2010-08-04 11:43:30

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Predicts solubility in molar units for a given chemical compound represented as a SMILES string in a given solvent

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Workflow Components

Authors (1)

Titles (1)

Descriptions (1)

Dependencies (0)

Inputs (2)

Name	Description
solute	An organic compound in SMILES format
solvent	The name of a solvent in which the solubility of a solute is to be predicted for

Processors (1)

Name	Type	Description
predictSolubility	workflow

Beanshells (1)

Name	Description	Inputs	Outputs
createUrl		solute solvent	url

Outputs (1)

Name	Description
solubility

Datalinks (3)

Source	Sink
solute	predictSolubility:solute
solvent	predictSolubility:solvent
predictSolubility:solubility	solubility

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Information Workflow Type

Taverna 2

Information Uploader

Peter Li

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Information Version 1 (earliest) (of 2)

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Peter Li

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Information Favourited By (1)

Jean-Claude Bradley

Information Statistics

2820 viewings

1658 downloads

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Version History

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Predict chemical solubility in solvents

Created by Peter Li on Wednesday 04 August 2010 11:42:55 (UTC)
Predict chemical solubility in solvents

Created by Peter Li on Wednesday 04 August 2010 11:43:28 (UTC)

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