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DeCAF—Discrimination, Comparison, Alignment Tool for 2D PHarmacophores
Comparison of small molecules is a common component of many cheminformatics workflows, including the design of new compounds and libraries as well as side-effect predictions and drug repurposing. Currently, large-scale comparison methods rely mostly on simple fingerprint representation of molecules,...
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| Pubblicato in: | Molecules |
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| Autori principali: | , , |
| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
MDPI
2017
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| Soggetti: | |
| Accesso online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6152008/ https://ncbi.nlm.nih.gov/pubmed/28684712 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules22071128 |
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