InChI Abstract

gistfile1.txt

Building on Sand: Standard InChIs on Non-Standard Molfiles
John Mayfield

The molfile serves as a de facto standard for chemical information exchange. It is perhaps the most
widely supported format with its core syntax being easy to understand, parse, and generate. Beyond
the core syntax, more advanced features such as sgroups and enhanced stereochemistry are rarely
supported, often only being partially implemented and used. Additionally, several vendors, 
toolkits, and service providers have added extended syntaxto their molfiles to solve particular
corner cases or representation problems.This talk will provide a brief summary of the less widely
supported features of the molfile including sgroups and enhanced stereochemistry. Additionally, 
a survey of how extensions can/have been implemented and which extensions exist "in the wild". 
Special attention will be paid to capturing of coordination bonds for extending the InChI to 
handle organometallics.