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filingDate 2021-06-18-04:00^^<http://www.w3.org/2001/XMLSchema#date>
inventor http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_7520d316bd80cf429efe0d0f863a6363
http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_fee9eef44771167c1d0594467c280d85
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publicationDate 2021-09-17-04:00^^<http://www.w3.org/2001/XMLSchema#date>
publicationNumber CN-113409899-A
titleOfInvention Human developmental toxicity prediction method based on action mode
abstract The invention discloses a method for predicting human developmental toxicity based on an action mode, and belongs to the field of virtual screening and activity prediction of human developmental toxicity of chemicals. Constructing a compound activity data set, selecting a harmful outcome path based on a human developmental toxicity action mode, and collecting research events and activity data thereof on a harmful outcome path signal path; and constructing a first predictive model based on the data set; then, a plurality of compounds with in-vivo experimental data and a prediction result of predicting the compounds with in-vivo experimental data by using the first prediction model are trained by using a naive Bayes algorithm to obtain a second prediction model; and inputting the compound to be tested into the first prediction model for qualitative prediction, and inputting the qualitative prediction result into the second prediction model to complete the prediction of the human developmental toxicity of the chemicals. The invention allows high throughput screening of potentially mode-of-action based human developmental toxic chemicals.
isCitedBy http://rdf.ncbi.nlm.nih.gov/pubchem/patent/CN-115274002-A
priorityDate 2021-06-18-04:00^^<http://www.w3.org/2001/XMLSchema#date>
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