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Towards interoperable and reproducible QSAR analyses: Exchange of datasets

BACKGROUND: QSAR is a widely used method to relate chemical structures to responses or properties based on experimental observations. Much effort has been made to evaluate and validate the statistical modeling in QSAR, but these analyses treat the dataset as fixed. An overlooked but highly important...

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Detaylı Bibliyografya
Asıl Yazarlar: Spjuth, Ola, Willighagen, Egon L, Guha, Rajarshi, Eklund, Martin, Wikberg, Jarl ES
Materyal Türü: Artigo
Dil:Inglês
Baskı/Yayın Bilgisi: BioMed Central 2010
Konular:
Online Erişim:https://ncbi.nlm.nih.gov/pmc/articles/PMC2909924/
https://ncbi.nlm.nih.gov/pubmed/20591161
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1758-2946-2-5
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