Research article
CMLLite: a design philosophy for CML
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* Corresponding author: Peter Murray-Rust pm286@cam.ac.uk
Unilever Centre for Molecular Science Informatics, Department of Chemistry, Lensfield Road, Cambridge, CB2 1EW, UK
Journal of Cheminformatics 2011, 3:39 doi:10.1186/1758-2946-3-39
Published: 14 October 2011Abstract
CMLLite is a collection of definitions and processes which provide strong and flexible validation for a document in Chemical Markup Language (CML). It consists of an updated CML schema (schema3), conventions specifying rules in both human and machine-understandable forms and a validator available both online and offline to check conformance. This article explores the rationale behind the changes which have been made to the schema, explains how conventions interact and how they are designed, formulated, implemented and tested, and gives an overview of the validation service.