http://rdf.ncbi.nlm.nih.gov/pubchem/patent/KR-20150100152-A

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filingDate 2014-02-24-04:00^^<http://www.w3.org/2001/XMLSchema#date>
inventor http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_da749db29736b50a2dceec52563fc89a
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publicationDate 2015-09-02-04:00^^<http://www.w3.org/2001/XMLSchema#date>
publicationNumber KR-20150100152-A
titleOfInvention Method for hepatotoxicity prediction using in silico technology
abstract The present invention relates to a method for predicting hepatotoxicity using a silico technique. The method for predicting hepatotoxicity using the in silico technique of the present invention includes a step of collecting information on hepatotoxic compounds from the US Food and Drug Administration (FDA) database (Human Liver Adverse Effect Database), designating the hepatotoxic compound as a chemical structure defined by a fingerprint presenter A step of calculating a distribution of information Gain (IG), which is the importance of a fingerprint presenter in the calculated prediction model, a step of calculating a stabilized IG optimum value and a fingerprint presenter having a high importance in the distribution diagram And using the selected fingerprint presenter, a support vector machine-based machine learning method can achieve high toxicity prediction power of 78% to 95%.
isCitedBy http://rdf.ncbi.nlm.nih.gov/pubchem/patent/KR-20190005398-A
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