Computational models for the classification of mPGES-1 inhibitors with fingerprint descriptors
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DOI: 10.1007/s11030-017-9743-x
Abstract: Human microsomal prostaglandin $$\hbox {E}_{2}$$E2 synthase (mPGES)-1 is a promising drug target for inflammation and other diseases with inflammatory symptoms. In this work, we built classification models which were able to classify mPGES-1 inhibitors into… read more here.
Keywords: fingerprint descriptors; classification; test set; mpges inhibitors ... See more keywords