<p>A set of molecules, the members of which have the same type of biological activity, are represented as one-dimensional strings of atoms. The one-dimensional strings of all members of the set are aligned, in order to obtain a multiple alignment profile of a consensus active compound. The one-dimensional multiple alignment profile is used in deriving a one-dimensional QSAR model to identify other compounds likely to have the same biological activity, and also may be used to derive a three-dimensional multiple alignment profile of the molecules in the set.</p>
申请公布号
WO2006055918(A2)
申请公布日期
2006.05.26
申请号
WO2005US42189
申请日期
2005.11.21
申请人
PHARMACOPEIA DRUG DISCOVERY, INC.;DILLER, DAVID, JOHN;WANG, NORMAN;DELISLE, ROBERT, KIRK;ANGHELESCU, ANDREI, VICTOR
发明人
DILLER, DAVID, JOHN;WANG, NORMAN;DELISLE, ROBERT, KIRK;ANGHELESCU, ANDREI, VICTOR