Open Chemical Structure Representation

Description: The most widely used formats for chemical structure representation (arguably), SMILES and Molfile, are proprietary standards. Many vendors of chemical software make use of these formats, relying on documentation which may not be complete. If the owners of these formats chose, the formats themselves could be changed without consulting the vendors making use of the formats. This working group will attempt to approach the owners of the format specifications to see if they would be willing to open up the formats as an expression of good will to the community.

Workspace: Click to access the workspace in a Google Folder.

Membership: If you are interested in joining the working group, please contact DIGChem@outlook.com.

Members:

• Evan Bolton, NIH, Co-Chair
• Leah McEwen, Cornell University, Co-Chair