solubility

=Solubility Services=

Measurements

 * 1) Individual solubility measurements for solute and solvent by dropdown menus ([|link(topo)])
 * 2) Table of average measurements (M) from all solvents for a given solute ([|example link by name(oru)] or by [|CSID(oru)] )
 * 3) Table of individual measurements (M) for a given solute and solvent ([|example link(oru)])
 * 4) Simple value average solubility measurement (M) from solute name and solvent name ([|example link(oru)], [|description])
 * 5) Simple value average solubility measurement (M) from solute csid and solvent csid (example link) (oru)
 * 6) Summary of all measurements by solvent ([|link] )
 * 7) Summary of all measurements for a solvent ([|oru by name] )
 * 8) Summary of all measurements in multiple solvents (oru by names)

Feeds
Molar concentrations: values are averaged over all measurements which are not marked as DONOTUSE.
 * 1) Live solubility data as rdf.
 * 2) Live OData XML feed
 * 3) Live tab separated values feed.

**Abraham Descriptor Based Models**

 * MeasuredAD**
 * 1) Abraham descriptor explorer - measured Abraham descriptors for ~2500 compounds
 * 2) View a web page displaying all known measured values for a compound - by name - by csid
 * 3) Measured Value For E - by name - by csid
 * 4) Measured Value For S - by name - by csid
 * 5) Measured Value For A - by name - by csid
 * 6) Measured Value For B - by name - by csid
 * 7) Measured Value For V - by name - by csid
 * 8) Measured Value For L - by name - by csid
 * ACModel002**
 * 1) Abraham solvent coefficients prediction link (showme)
 * ADModel003**
 * 1) Abraham solute descriptor prediction link (showme)
 * 2) Model description
 * 3) Predicted Value For E - by name - by csid
 * 4) Predicted Value For S - by name - by csid
 * 5) Predicted Value For A - by name - by csid
 * 6) Predicted Value For B - by name - by csid
 * 7) Predicted Value For V - by name - by csid
 * 8) Predicted Value For L - by name - by csid
 * ADModel001 [legacy]**
 * 1) Abraham descriptor generation from solute name, CSID, SMILES ([|link(showme)], [|description], [[file:onswebservices/AbrahamDescriptorsModel001.zip|source code]])
 * 2) Simple value solubility prediction (M) from solute name and solvent (name or dropdown) ([|link(showme)], [|example link(showme)], [|integrated in sheet], [|description])
 * 3) Solubility prediction (M) from Abraham descriptors ([|link(showme)], [|description])
 * General Models**
 * 1) Solubility prediction (M) in any solvent using CDK descriptors - and lists experimental values for comparison in report ([|link(showme)], [|example], Model003 description)

Data Tables

 * 1) Solvent properties - density, Green Index, dipole moment, dielectric constant, Abraham descriptors, b.p., m.w. ([|sheet] )
 * 2) Solubilities Summary - all ONSC data ([|sheet])
 * 3) SolSumMix - solubility measurements in solvent mixtures and/or different temperatures ([|sheet], [|description of 5D modeling])

Archives

 * 1) For PDF book format and full archives see onsbooks (link )

Calculations

 * 1) Automatically integrates from JCAMP-DX NMR to calculate concentration (M) -must use decompressed XY format and file can be located anywhere on web ([|template sheet])
 * 2) Converts mole fraction, x, to molarity using Chemspider predicted densities (example link(oru),[[file:onswebservices/x2M.zip|source code(php)]])
 * 3) Converts mass ratio (g solute/100g solvent) to molarity using ChemSpider predicted densities - example link (lxsrv7).
 * 4) Converts mass fraction (g solute/100g solution) to molarity using ChemSpider predicted densities - example link (lxsrv7).
 * 5) Determine solubility by density ([|template] )
 * 6) Conversion of solubility (M) from one temperature to another ([|sheet] )

Requests

 * 1) [|DoSol sheet]
 * 2) Outlier bot ([|link], [|description] )

External

 * 1) LogP and aqueous solubility prediction - VCClab ([|link])