Article:mr03
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@ARTICLE{mr03, author = {P. Murray--Rust and H. S. Rzepa}, title = {Chemical {M}arkup, {XML} and the {W}orld--{W}ide {W}eb. 4. {CML} {S}chema}, journal = {J. {C}hem. {I}nf. {C}omput. {S}ci.}, year = {2003}, volume = {43}, pages = {757--772}, abstract = {A revision to {C}hemical {M}arkup {L}anguage ({CML}) is presented as a {XML} {S}chema compliant form, modularized into nonchemical and chemical components. {STMML} contains generic concepts for numeric data and scientific units, while {CMLC}ore retains most of the chemical functionality of the original {CML} 1.0 and extends it by adding handlers for chemical substances, extended bonding models and names. {W}e propose extension via new namespaced components for chemical queries, reactions, spectra, and computational chemistry. {T}he conformance with {XML} schemas allows much greater control over datatyping, document validation, and structure.}, doi = {10.1021/ci0256541}, }