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Activity Profile Sequences: a Concept to Account for the Progression of Compound Activity in Target Space and to Extract SAR Information from Analogue Series with Multiple Target Annotations
Author(s) -
Hu Ye,
Bajorath Jürgen
Publication year - 2011
Publication title -
chemmedchem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.817
H-Index - 100
eISSN - 1860-7187
pISSN - 1860-7179
DOI - 10.1002/cmdc.201100395
Subject(s) - series (stratigraphy) , space (punctuation) , sequence (biology) , computer science , information retrieval , chemical space , computational biology , biology , bioinformatics , drug discovery , genetics , paleontology , operating system
Progression of compound activity in target space: We introduce the concept of activity profile sequences to organize compound series into sets of structures active against stepwise increasing numbers of targets. Shown is an exemplary sequence containing a conserved scaffold representing compounds with activity against up to four targets (A–D).