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Implementation of multiple-instance learning in drug activity prediction
BACKGROUND: In the context of drug discovery and development, much effort has been exerted to determine which conformers of a given molecule are responsible for the observed biological activity. In this work we aimed to predict bioactive conformers using a variant of supervised learning, named multi...
Autores principales: | , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
BioMed Central
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3439725/ https://www.ncbi.nlm.nih.gov/pubmed/23046442 http://dx.doi.org/10.1186/1471-2105-13-S15-S3 |