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SCISSORS: Practical Considerations

Molecular similarity has been effectively applied to many problems in cheminformatics and computational drug discovery, but modern methods can be prohibitively expensive for large-scale applications. The SCISSORS method rapidly approximates measures of pairwise molecular similarity such as ROCS and...

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Main Authors: Kearnes, Steven M., Haque, Imran S., Pande, Vijay S.
格式: Artigo
語言:Inglês
出版: 2013
主題:
在線閱讀:https://ncbi.nlm.nih.gov/pmc/articles/PMC4207653/
https://ncbi.nlm.nih.gov/pubmed/24289274
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci400264f
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