An informatic pipeline for managing high-throughput screening experiments and analyzing data from stereochemically diverse libraries

Integration of flexible data-analysis tools with cheminformatics methods is a prerequisite for successful identification and validation of “hits” in high-throughput screening (HTS) campaigns. We have designed, developed, and implemented a suite of robust yet flexible cheminformatics tools to support...

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Pubblicato in:J Comput Aided Mol Des
Autori principali: Mulrooney, Carol A., Lahr, David L., Quintin, Michael J., Youngsaye, Willmen, Moccia, Dennis, Asiedu, Jacob K., Mulligan, Evan L., Akella, Lakshmi B., Marcaurelle, Lisa A., Montgomery, Philip, Bittker, Joshua A., Clemons, Paul A., Brudz, Stephen, Dandapani, Sivaraman, Duvall, Jeremy R., Tolliday, Nicola J., De Souza, Andrea
Natura: Artigo
Lingua:Inglês
Pubblicazione: 2013
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Article
Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC5554947/
https://ncbi.nlm.nih.gov/pubmed/23585218
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-013-9641-y
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