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QSAR workbench: automating QSAR modeling to drive compound design

We describe the QSAR Workbench, a system for the building and analysis of QSAR models. The system is built around the Pipeline Pilot workflow tool and provides access to a variety of model building algorithms for both continuous and categorical data. Traditionally models are built on a one by one ba...

תיאור מלא

שמור ב:
מידע ביבליוגרפי
Main Authors: Cox, Richard, Green, Darren V. S., Luscombe, Christopher N., Malcolm, Noj, Pickett, Stephen D.
פורמט: Artigo
שפה:Inglês
יצא לאור: Springer Netherlands 2013
נושאים:
גישה מקוונת:https://ncbi.nlm.nih.gov/pmc/articles/PMC3657086/
https://ncbi.nlm.nih.gov/pubmed/23615761
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-013-9648-4
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