EP 1034153 A1 20000913 - METHOD OF DESIGNING CHEMICAL SUBSTANCES
Title (en)
METHOD OF DESIGNING CHEMICAL SUBSTANCES
Title (de)
METHODE ZUM ENTWURF VON CHEMISCHEN SUBSTANZEN
Title (fr)
PROCEDE D'IDENTIFICATION DE SUBSTANCES CHIMIQUES
Publication
Application
Priority
- GB 9803017 W 19981008
- GB 9724784 A 19971124
Abstract (en)
[origin: WO9926901A1] A method for designing chemical substances is disclosed, in which a plurality of sets of candidate elements are selected. From those sets of candidate elements, an array of all possible substances that can be made is generated. From this array, a smaller, sub-array is identified which includes all possible pairings of the elements within each set. The substances within that sub-array are then synthesised and their physical properties tested in each case. Based on the results of these tests, the physical properties of substances within the array of all possible substances but not within the sub-array may be predicted. The method allows a chemical substance, and particularly a pharmaceutical substance, having an optimised physical characteristic to be identified from a large array of possible substances more quickly and accurately.
IPC 1-7
IPC 8 full level
G16C 20/64 (2019.01); C07B 61/00 (2006.01); G06F 17/50 (2006.01)
CPC (source: EP US)
G16B 35/00 (2019.01 - EP); G16C 20/60 (2019.01 - EP); G16C 20/64 (2019.01 - EP US)
Citation (search report)
See references of WO 9926901A1
Designated contracting state (EPC)
CH DE DK FR GB LI SE
DOCDB simple family (publication)
WO 9926901 A1 19990603; AU 9358698 A 19990615; EP 1034153 A1 20000913; GB 9724784 D0 19980121
DOCDB simple family (application)
GB 9803017 W 19981008; AU 9358698 A 19981008; EP 98946584 A 19981008; GB 9724784 A 19971124