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PubChem atom environments

BACKGROUND: Atom environments and fragments find wide-spread use in chemical information and cheminformatics. They are the basis of prediction models, an integral part in similarity searching, and employed in structure search techniques. Most of these methods were developed and evaluated on the rela...

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Bibliografiska uppgifter
I publikationen:J Cheminform
Huvudupphovsmän: Hähnke, Volker D, Bolton, Evan E, Bryant, Stephen H
Materialtyp: Artigo
Språk:Inglês
Publicerad: Springer International Publishing 2015
Ämnen:
Länkar:https://ncbi.nlm.nih.gov/pmc/articles/PMC4540750/
https://ncbi.nlm.nih.gov/pubmed/26300985
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-015-0076-4
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