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Improved GNNs for Log D7.4 Prediction by Transferring Knowledge from Low-Fidelity Data.
Duan, Yan-Jing; Fu, Li; Zhang, Xiao-Chen; Long, Teng-Zhi; He, Yuan-Hang; Liu, Zhao-Qian; Lu, Ai-Ping; Deng, Ya-Feng; Hsieh, Chang-Yu; Hou, Ting-Jun; Cao, Dong-Sheng.
Affiliation
  • Duan YJ; Xiangya School of Pharmaceutical Sciences, Central South University, Changsha 410013, Hunan, P. R. China.
  • Fu L; Xiangya School of Pharmaceutical Sciences, Central South University, Changsha 410013, Hunan, P. R. China.
  • Zhang XC; School of Information Technology, Shangqiu Normal University, Shangqiu 476000, Henan, P. R. China.
  • Long TZ; Xiangya School of Pharmaceutical Sciences, Central South University, Changsha 410013, Hunan, P. R. China.
  • He YH; Xiangya School of Pharmaceutical Sciences, Central South University, Changsha 410013, Hunan, P. R. China.
  • Liu ZQ; Xiangya School of Pharmaceutical Sciences, Central South University, Changsha 410013, Hunan, P. R. China.
  • Lu AP; Institute for Advancing Translational Medicine in Bone & Joint Diseases, School of Chinese Medicine, Hong Kong Baptist University, Hong Kong SAR 999077, P. R. China.
  • Deng YF; CarbonSilicon AI Technology Co., Ltd., Hangzhou 310018, Zhejiang, P. R. China.
  • Hsieh CY; Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, P. R. China.
  • Hou TJ; Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, P. R. China.
  • Cao DS; Xiangya School of Pharmaceutical Sciences, Central South University, Changsha 410013, Hunan, P. R. China.
J Chem Inf Model ; 63(8): 2345-2359, 2023 04 24.
Article in En | MEDLINE | ID: mdl-37000044
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Full text: 1 Database: MEDLINE Main subject: Drug Discovery / Halogens Type of study: Prognostic_studies / Risk_factors_studies Language: En Year: 2023 Type: Article
Fulltext
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Full text: 1 Database: MEDLINE Main subject: Drug Discovery / Halogens Type of study: Prognostic_studies / Risk_factors_studies Language: En Year: 2023 Type: Article