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The Design of Leadlike Combinatorial Libraries
Author(s) -
Teague Simon J.,
Davis Andrew M.,
Leeson Paul D.,
Oprea Tudor
Publication year - 1999
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/(sici)1521-3773(19991216)38:24<3743::aid-anie3743>3.0.co;2-u
Subject(s) - lipophilicity , scope (computer science) , potency , chemistry , combinatorial chemistry , computer science , computational biology , stereochemistry , biochemistry , biology , in vitro , programming language
The optimization of low‐potency leads into drugs is often accompanied by an increase in molecular weight ( M r ) and lipophilicity, as a consequence of affinity enhancement. Hits with affinity at μ M levels discovered by screening leadlike libraries allow scope for this optimization process, as shown schematically by the distributions of M r for a leadlike library (1), oral drugs (2), and a typical combinatorial chemistry library (3). y =percentage with a particular molecular weight.