CHEMICAL REACTIONS DATA BASE: CANONISATION, ACCESS PATHS, DATA STRUCTURES

Ziel

TO DEVELOP ADVANCED SOFTWARE SYSTEMS FOR THE MANAGEMENT OF DATA-BASES ON ENVIRONMENTAL CHEMICALS.

AN UNAMBIGUOUS, HIERARCHICAL CODING OF CHEMICAL REACTIONS IS DEVELOPED. IT IS STRUCTURED INTO (A) BOND CHANGES, (B) REACTION-INVARIANT BONDS IN THE COMMON REACTION CORE OF REACTANTS AND PRODUCTS, (C) CHEMICAL ELEMENT NAMES IN REACTION CORE, (D) ENVIRONMENTAL SPHERES OF EACH ATOM IN REACTION CORE.

A UNIQUE (CANONICAL) REPRESENTATION OF THESE FEATURES CAN BE TRANSFORMED INTO A STRING NOTATION SUITABLE FOR MANIPULATION BY CONVENTIONAL DATA BASE MANAGEMENT SYSTEMS. DATA STRUCTURES AND ACCESS METHODS WILL BE DEVELOPED AND IMPLEMENTED FOR INCORPORATION OF A REACTION I&D-MODULE IN A RELATIONAL DBMS (ADABAS).

METHODS FOR COMPUTER-GUIDED UPGRADING AND INCORPORATION OF EXISTING REACTION DATA, BOTH FROM ECDIN AND FROM OTHER DATA SERVICES WILL BE INVESTIGATED.

Programm/Programme

PRE-ENVPROT 3C - Sectoral research and development programme (EEC) in the field of environment (environmental protection and climatology) - indirect and concerted actions - Environmental protection -, 1981-1985

Thema/Themen

Data not available

Aufforderung zur Vorschlagseinreichung

Data not available

Finanzierungsplan

CSC - Cost-sharing contracts

Koordinator

TECHNICAL UNIVERSITY OF MUNICH

EU-Beitrag

Keine Daten

Adresse

21,Alte Akademie 16
85350 FREISING
Deutschland

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