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However, evaluation of the acute oral toxicity of small compounds considered in the early stages of drug discovery is limited because of cost and time. Here, we developed a computational framework, PredAOT, that predicts the acute oral toxicity of small compounds in mice and rats.<\/jats:p>\n              <\/jats:sec><jats:sec>\n                <jats:title>Methods<\/jats:title>\n                <jats:p>PredAOT is based on multiple random forest models for the accurate prediction of acute oral toxicity. A total of 6226 and 6238 compounds evaluated in mice and rats, respectively, were used to train the models.\n<\/jats:p>\n              <\/jats:sec><jats:sec>\n                <jats:title>Results<\/jats:title>\n                <jats:p>PredAOT has the advantage of predicting acute oral toxicity in mice and rats simultaneously, and its prediction performance is similar to or better than that of existing tools.<\/jats:p>\n              <\/jats:sec><jats:sec>\n                <jats:title>Conclusion<\/jats:title>\n                <jats:p>PredAOT will be a useful tool for the quick and accurate prediction of the acute oral toxicity of small compounds in mice and rats during drug development.<\/jats:p>\n              <\/jats:sec>","DOI":"10.1186\/s12859-023-05176-5","type":"journal-article","created":{"date-parts":[[2023,2,24]],"date-time":"2023-02-24T11:03:18Z","timestamp":1677236598000},"update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":19,"title":["PredAOT: a computational framework for prediction of acute oral toxicity based on multiple random forest models"],"prefix":"10.1186","volume":"24","author":[{"given":"Jae Yong","family":"Ryu","sequence":"first","affiliation":[]},{"given":"Woo Dae","family":"Jang","sequence":"additional","affiliation":[]},{"given":"Jidon","family":"Jang","sequence":"additional","affiliation":[]},{"given":"Kwang-Seok","family":"Oh","sequence":"additional","affiliation":[]}],"member":"297","published-online":{"date-parts":[[2023,2,24]]},"reference":[{"issue":"8","key":"5176_CR1","doi-asserted-by":"publisher","first-page":"636","DOI":"10.1038\/nrd2378","volume":"6","author":"JA Kramer","year":"2007","unstructured":"Kramer JA, Sagartz JE, Morris DL. 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