misc

=Miscellaneous Web Services enabling Open Notebook Science projects=

ONS Projects

 * 1) Conversion from common name to CSID, density, MW, SMILES ([|sheet], [|description])
 * 2) CSID to Experimental Melting Point MP ( °C) via url (example,all onsc compounds)
 * 3) Linear regression service - data passed via url (example)
 * 4) SMILES to length. Calculates the length of a molecule by first approximating the 3D atom coordinates via smi23d and then returns the maximum distance between all pairs of atoms plus their respective van der Waals radii from (http://periodictable.com/Properties/A/VanDerWaalsRadius.an.html). (example)

External Services
 * 1) Cactus NCI chemical name resolver ([|link])
 * 2) SMARTS viewer ([|link], [|discussion])
 * 3) SMILES viewer for multiple molecules - DEPICT ([|link])
 * 4) SMILES viewer - ambit ([|link], [|description] )
 * 5) Molar volume - ChemAxon - must generate conformer first ([|link], [|discussion])
 * 6) CDK.web services ([|link])
 * 7) FROG 3D conformer generation from 2D input such as SMILES ([|link])
 * 8) Molar Volume with 3D coordinates returned as sdf - ChemAxon (example)
 * 9) Lilly Medchem Rules for identifying Potentially Reactive or Promiscuous Compounds (webservice, description, paper)
 * 10) OPSIN. Name to Structure Convertor (link)

Software

 * 1) SDF viewer - ChemFileBrowser from Hyleos ([|download])
 * 2) ChemCell - addon to Excel for converting common names to SMILES ([|description])

Partial Code

 * 1) Using Perl to query ChemSpider ([|link])
 * 2) Reordering SMILES atom order ([|link])