- 专利标题： COMPOUND SAFETY PREDICTION DEVICE, COMPOUND SAFETY PREDICTION PROGRAM, AND COMPOUND SAFETY PREDICTION METHOD
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申请号： EP22864609.7申请日： 2022-08-31
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公开(公告)号： EP4401082A1公开(公告)日： 2024-07-17
- 发明人: MINAMI, Takuya , HASHIZUME, Naoki
- 申请人： Resonac Corporation
- 申请人地址： JP Tokyo 105-7325 9-1, Higashi-Shimbashi 1-chome Minato-ku
- 专利权人： Resonac Corporation
- 当前专利权人： Resonac Corporation
- 当前专利权人地址： JP Tokyo 105-7325 9-1, Higashi-Shimbashi 1-chome Minato-ku
- 代理机构： Strehl Schübel-Hopf & Partner
- 优先权： JP 21144755 2021.09.06
- 国际申请： JP2022032725 2022.08.31
- 国际公布： WO2023033027 2023.03.09
- 主分类号： G16C20/30
- IPC分类号： G16C20/30 ; G16C20/40 ; G06F16/907
摘要：
A compound safety prediction device (1A) according to the present invention comprises: an input unit (10) for inputting the structural formula of at least one molecule; a safety prediction unit (20) for predicting a safety evaluation of the molecule and computing a confidence score level of the prediction; a similar molecule data searching unit (30) for acquiring the safety evaluation data of a similar molecule similar to the molecule; and an output unit (80) for outputting the result of prediction of the safety evaluation of the molecule, the confidence score level of the prediction, and the safety evaluation data of the similar molecule.
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