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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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| Główni autorzy: | , , |
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| Format: | Artigo |
| Język: | Inglês |
| Wydane: |
2011
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| Hasła przedmiotowe: | |
| Dostęp online: | 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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