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2D Binary QSAR Modeling of LPA(3) Receptor Antagonism

A structurally diverse dataset of 119 compounds was used to develop and validate a 2D binary QSAR model for the LPA(3) receptor. The binary QSAR model was generated using an activity threshold of greater than 15% inhibition at 10µM. The overall accuracy of the model on the training set was 82%. It h...

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Main Authors: Fells, James I., Tsukahara, Ryoko, Liu, Jianxiong, Tigyi, Gabor, Parrill, Abby L.
格式: Artigo
語言:Inglês
出版: 2010
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在線閱讀:https://ncbi.nlm.nih.gov/pmc/articles/PMC2873117/
https://ncbi.nlm.nih.gov/pubmed/20356772
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.jmgm.2010.03.002
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