THE MOLECULAR INFORMATION FILE (MIF) - CORE SPECIFICATIONS OF A NEW STANDARD FORMAT FOR CHEMICAL-DATA

Authors
ALLEN FH BARNARD JM COOK APF HALL SR
Citation
Fh. Allen et al., THE MOLECULAR INFORMATION FILE (MIF) - CORE SPECIFICATIONS OF A NEW STANDARD FORMAT FOR CHEMICAL-DATA, Journal of chemical information and computer sciences, 35(3), 1995, pp. 412-427
Citations number
20
Categorie Soggetti
Information Science & Library Science","Computer Application, Chemistry & Engineering","Computer Science Interdisciplinary Applications",Chemistry,"Computer Science Information Systems
Journal title
Journal of chemical information and computer sciences → ACNP
ISSN journal
00952338
Volume
35
Issue
3
Year of publication
1995
Pages
412 - 427
Database
ISI
SICI code
0095-2338(1995)35:3<412:TMIF(->2.0.ZU;2-5
Abstract
The initial core data definitions of a universal data exchange format for chemical information is proposed. The Molecular Information File ( MIF) represents a coalescence of two major format developments: the St andard Molecular Data Format (SMD) and the Crystallographic Informatio n File that conforms to the STAR (Self-Defining Text Archive and Retri eval) syntax. Essentially, the MIF is a re-expression of the major SMD concepts using STAR syntax. The core data items, defined here, cover chemical connectivity representations, stereochemistry, and associated data for complete 2D and 3D molecules and for 2D substructural querie s.