发明公开
EP1358611A2 SYSTEM AND METHOD FOR PREDICTING ADME/TOX CHARACTERISTICS OF A COMPOUND
审中-公开
系统和ADME TOX特性的连接方法预测/
- 专利标题： SYSTEM AND METHOD FOR PREDICTING ADME/TOX CHARACTERISTICS OF A COMPOUND
- 专利标题（中）： 系统和ADME TOX特性的连接方法预测/
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申请号： EP01956015.0申请日： 2001-07-30
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公开(公告)号： EP1358611A2公开(公告)日： 2003-11-05
- 发明人: GRASS, George, M. , LEESMAN, Glen, D. , NORRIS, Daniel , SINKO, Patrick , ATHWAL, Jehangir , SAGE, Carleton , BREMER, Troy , HOLME, Kevin
- 申请人： LION bioscience AG
- 申请人地址： Waldhofer Strasse 98 69123 Heidelberg DE
- 专利权人： LION bioscience AG
- 当前专利权人： LION bioscience AG
- 当前专利权人地址： Waldhofer Strasse 98 69123 Heidelberg DE
- 代理机构： Schohe, Stefan
- 优先权： US221548P 20000728; US267435P 20010209
- 国际公布： WO02010742 20020207
- 主分类号： G06F19/00
- IPC分类号： G06F19/00
摘要：
A method for developing a predictive model of a chemical compound property. The method includes obtaining at least one descriptor from structural data for each of a plurality of compounds. At least one chemical compound property is obtained for each of the plurality of compounds. The predictive model is developed by mapping the at least one descriptor to the chemical compound property. The chemical compound property may be an ADME property. The ADME property may be absorption. The chemical compound property may also be a toxicity property.
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