Global Patent Index - EP 1010094 A1

EP 1010094 A1 20000621 - COMPOUND SCREENING SYSTEM

Title (en)

COMPOUND SCREENING SYSTEM

Title (de)

GEMISCHTES SICHTUNGSSYSTEM

Title (fr)

SYSTEME DE TAMISAGE DE COMPOSES

Publication

EP 1010094 A1 20000621 (EN)

Application

EP 98941143 A 19980903

Priority

  • AU 9800715 W 19980903
  • AU PO892197 A 19970903
  • AU PP119297 A 19971231

Abstract (en)

[origin: WO9912118A1] The present application relates to a number of aspects of a compound and/or molecular screening system, including: 1) finding relationships between molecular structure and useful properties of molecules, more particularly using a virtual or mathematical analogue or model of a biological receptor or active site (a "virtual receptor") or other biological activity, such as toxicity; 2) creating a virtual receptor by use of Minimum Message Length or Maximum Entropy method (MEM) principles such as by applying a Bayesian regularised artificial neural network (BRANN); 3) using a virtual receptor to screen a database, the database may be real or virtual, may apply to existing or hypothetical molecules or compounds; 4) use of virtual receptors as fitness functions; 5) a method of mutating structures by modifying a SMILES string representation; 6) an improved molecular multipole moment representation; 7) an improved molecular eigenvalue index as a representation. Other aspects are also disclosed.

IPC 1-7

G06F 15/18

IPC 8 full level

G16C 20/64 (2019.01); B01J 19/00 (2006.01); G06F 17/50 (2006.01)

CPC (source: EP US)

B01J 19/0046 (2013.01 - EP); G16B 35/00 (2019.01 - EP); G16C 20/60 (2019.01 - EP); G16C 20/64 (2019.01 - EP US); B01J 2219/00601 (2013.01 - EP); B01J 2219/007 (2013.01 - EP); B01J 2219/00702 (2013.01 - EP); B01J 2219/0072 (2013.01 - EP)

Designated contracting state (EPC)

DE FR GB IT

DOCDB simple family (publication)

WO 9912118 A1 19990311; EP 1010094 A1 20000621; EP 1010094 A4 20010307

DOCDB simple family (application)

AU 9800715 W 19980903; EP 98941143 A 19980903