Informing the Selection of Screening Hit Series with in Silico Absorption, Distribution, Metabolism, Excretion, and Toxicity Profiles

High-throughput screening (HTS) has enabled millions of compounds to be assessed for biological activity, but challenges remain in the prioritization of hit series. While biological, absorption, distribution, metabolism, excretion, and toxicity (ADMET), purity, and structural data are routinely used...

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Veröffentlicht in:	Journal of medicinal chemistry 2017-08, Vol.60 (16), p.6771
Hauptverfasser:	Sanders, John M, Beshore, Douglas C, Culberson, J Christopher, Fells, James I, Imbriglio, Jason E, Gunaydin, Hakan, Haidle, Andrew M, Labroli, Marc, Mattioni, Brian E, Sciammetta, Nunzio, Shipe, William D, Sheridan, Robert P, Suen, Linda M, Verras, Andreas, Walji, Abbas, Joshi, Elizabeth M, Bueters, Tjerk
Format:	Artikel
Sprache:	eng
Schlagworte:	Animals ATP Binding Cassette Transporter, Subfamily B, Member 1 - metabolism Computer Simulation Drug Discovery - methods Drug-Related Side Effects and Adverse Reactions High-Throughput Screening Assays - methods Humans Pharmaceutical Preparations - chemistry Pharmaceutical Preparations - metabolism Pharmacokinetics Pharmacology Quantitative Structure-Activity Relationship
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