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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...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer Netherlands
2013
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3657086/ https://www.ncbi.nlm.nih.gov/pubmed/23615761 http://dx.doi.org/10.1007/s10822-013-9648-4 |