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How to do an evaluation: pitfalls and traps

The recent literature is replete with papers evaluating computational tools (often those operating on 3D structures) for their performance in a certain set of tasks. Most commonly these papers compare a number of docking tools for their performance in cognate re-docking (pose prediction) and/or virt...

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Detalles Bibliográficos
Autores principales: Hawkins, Paul C. D., Warren, Gregory L., Skillman, A. Geoffrey, Nicholls, Anthony
Formato: Texto
Lenguaje:English
Publicado: Springer Netherlands 2008
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2270916/
https://www.ncbi.nlm.nih.gov/pubmed/18217218
http://dx.doi.org/10.1007/s10822-007-9166-3