MolClass: a web portal to interrogate diverse small molecule screen datasets with different computational models

Summary: The MolClass toolkit and data portal generate computational models from user-defined small molecule datasets based on structural features identified in hit and non-hit molecules in different screens. Each new model is applied to all datasets in the database to classify compound specificity....

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Detalles Bibliográficos
Autores principales: Wildenhain, Jan, FitzGerald, Nicholas, Tyers, Mike
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2012
Materias:
Applications Note
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3413392/
https://www.ncbi.nlm.nih.gov/pubmed/22711790
http://dx.doi.org/10.1093/bioinformatics/bts349

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3413392/
https://www.ncbi.nlm.nih.gov/pubmed/22711790
http://dx.doi.org/10.1093/bioinformatics/bts349

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