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Chemical Structural Novelty: On-Targets and Off-Targets

Drug structures may be quantitatively compared based on 2D topological structural considerations and based on 3D characteristics directly related to binding. A framework for combining multiple similarity computations is presented along with its systematic application to 358 drugs with overlapping ph...

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Bibliografische gegevens
Hoofdauteurs: Yera, Emmanuel R., Cleves, Ann. E., Jain, Ajay N.
Formaat: Artigo
Taal:Inglês
Gepubliceerd in: 2011
Onderwerpen:
Online toegang:https://ncbi.nlm.nih.gov/pmc/articles/PMC3188662/
https://ncbi.nlm.nih.gov/pubmed/21916467
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jm200666a
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