A desirability function-based scoring scheme for selecting fragment-like class A aminergic GPCR ligands
نویسندگان
چکیده
منابع مشابه
Erratum to: A desirability function-based scoring scheme for selecting fragment-like class A aminergic GPCR ligands
A physicochemical property-based desirability scoring scheme for fragment-based drug discovery was developed for class A aminergic GPCR targeted fragment libraries. Physicochemical property distributions of known aminergic GPCR-active fragments from the ChEMBL database were examined and used for a desirability function-based score. Property-distributions such as log D (at pH 7.4), PSA, pKa (str...
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ژورنال
عنوان ژورنال: Journal of Computer-Aided Molecular Design
سال: 2014
ISSN: 0920-654X,1573-4951
DOI: 10.1007/s10822-014-9804-5