Skip to main content
European Commission logo print header
Contenuto archiviato il 2019-03-15

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

Obiettivo

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.

Argomento(i)

Data not available

Invito a presentare proposte

Data not available

Meccanismo di finanziamento

CSC - Cost-sharing contracts

Coordinatore

TECHNICAL UNIVERSITY OF MUNICH
Contributo UE
Nessun dato
Indirizzo
21,Alte Akademie 16
85350 FREISING
Germania

Mostra sulla mappa

Costo totale
Nessun dato