Towards modelling of the environmental fate of pharmaceuticals using the QSPR-MM scheme
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- 作者：Karolina Jagielloa ; Aleksandra Mostrag-Szlichtynga ; Agnieszka Gajewicza ; Toru Kawaib ; Yoshitaka Imaizumib ; Takeo Sakuraib ; Hiroshi Yamamotoc ; Norihisa Tatarazakob ; Kaoruko Mizukawad ; Yasunobu Aokib ; Noriyuki Suzukib ; Haruna Watanabeb ; Tomasz Puzyna ; t.puzyn@qsar.eu.org" class="auth_mail" title="E-mail the corresponding author
- 关键词：Multimedia mass-balance models ; Quantitative structure-property relationship models ; Pharmaceuticals ; Drug-like compounds
- 刊名：Environmental Modelling & Software
- 出版年：2015
- 出版时间：October 2015
- 年：2015
- 卷：72
- 期：Complete
- 页码：147-154
- 全文大小：466 K
文摘
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Multimedia fate models applied for pharmaceuticals are reviewed.
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QSPR approach to predict physical/chemical properties of pharmaceuticals is reviewed.
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QSPR-MM combined model is suggested to predict Pov and LRTP of chemical pollutants.