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Charge Interactions Do the Job: A Combined Statistical and Combinatorial Approach to Finding Artificial Receptors for Binding Tetrapeptides in Water
Author(s) -
Schmuck Carsten,
Heil Martin,
Scheiber Josef,
Baumann Knut
Publication year - 2005
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.200501812
Subject(s) - quantitative structure–activity relationship , receptor , statistical analysis , chemistry , scheme (mathematics) , computational biology , computer science , artificial intelligence , biological system , combinatorial chemistry , mathematics , stereochemistry , biology , biochemistry , statistics , mathematical analysis
Statistical QSAR analysis (QSAR=quantitative structure–activity relationship) was applied to quantitative experimental screening data of a small, but focused, combinatorial library to identify potent receptors ( 1 , see scheme). Analysis showed that no receptors with better efficiency would be expected, even if a 15‐times larger library was used.