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CMLLite: a design philosophy for CML

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Townsend, Joseph A 
Murray-Rust, Peter 


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.



chemistry, CML, semantic, markup language, convention, validator service, schema

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Murray-Rust group, Unilever Centre for Molecular Science Informatics, Department of Chemistry, University of Cambridge

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The Chem4Word project was supported by Microsoft External Research (