Modular Chemical Descriptor Language
{{Short description|Method of representation of molecular structures}}
The Modular Chemical Descriptor Language (MCDL) is a method for representing of molecular structures and pertinent molecular information using linear descriptors. MCDL files are designed for cross-platform transfer and manipulation of compound-specific chemical data. They consist of sets of unique information (fragments, connections) and nonunique information (coordinates, ID numbers, spectra, physical-chemical properties). The nonunique portion of the descriptor can be customized, thus providing end-user flexibility.Modular Chemical Descriptor Language (MCDL): Composition, Connectivity, and
Supplementary Modules, A. A. Gakh, M. N. Burnett, J. Chem. Inf. Comput. Sci., 2001, 41 (6), 1494-1499. {{doi|10.1021/ci000108y}} Unique representation of atom and double bond stereochemistry is contrived as separate modules.Modular Chemical Descriptor Language (MCDL): stereochemical modules, A. A. Gakh, M. N. Burnett, S. V. Trepalin, et al, J. Cheminform., 2011, 3, 5. {{doi|10.1186/1758-2946-3-5}}
Software implementation
Modular Chemical Descriptor Language is currently implemented in several software packages. A JAVA-based MCDL editor with intelligent generation of 2D coordinates is available as open source software under GPL.A Java Chemical Structure Editor Supporting the Modular Chemical Descriptor Language (MCDL), S. V. Trepalin, A. V. Yarkov, I. V. Pletnev, et al, Molecules, 2006, 11, 219-231. {{doi|10.3390/11040219}} MCDL translator is also included in Open Babel starting from version 2.3.1.N. M. O'Boyle, M. Banck, C. A. James, et al. Open Babel: An open chemical toolbox. J Cheminform 2011, 3, 33. {{doi|10.1186/1758-2946-3-33}}{{Cite book |last1=Cuzzocrea |first1=Alfredo |last2=Kittl |first2=Christian |last3=Simos |first3=Dimitris E. |last4=Weippl |first4=Edgar |last5=Xu |first5=Lida |date=2013-08-19 |title=Availability, Reliability, and Security in Information Systems and HCI: IFIP WG 8.4, 8.9, TC 5 International Cross-Domain Conference, CD-ARES 2013, Regensburg, Germany, September 2-6, 2013, Proceedings |url=https://books.google.com/books?id=RCq6BQAAQBAJ&q=Modular%2520Chemical%2520Descriptor%2520Language&pg=PA55 |access-date=2020-12-11 |website=Google Books |publisher=Springer |isbn=9783642405112 |language=en}}