Identification of the polymorphs of clopidogrel bisulfate based on the steric morphology parameters of crystals
文献类型：期刊论文
| 作者 | Chen, Long3; Wang, Liu-yi2; Yin, Xian-zhen1; Wang, Jin-can2; Liu, Rui-hao1; Wang, Dan3; Li, Hai-yan1 ; Zhu, Wei-feng3; Zhang, Ji-wen3
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| 刊名 | Yao xue xue bao = Acta pharmaceutica Sinica
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| 出版日期 | 2013-09 |
| 卷号 | 48期号:9页码:1459-63 |
| ISSN号 | 0513-4870 |
| 文献子类 | Article |
| 英文摘要 | The crystal form of solid substance had intrinsic correlation with its three dimensional crystal morphology. Based on the characterization of the three dimensional crystal morphology of clopidogrel bisulfate, this research is to establish a model based on the three dimensional morphological parameters. The granular samples composed of polymorphs of clopidogrel bisulfate and microcrystalline cellulose (MCC) were scanned by synchrotron radiation X-ray microscopic CT technology (SR-microCT) and the three dimensional structural models for which were constructed. Seven groups of three dimensional morphological parameters were calculated. Finally, the mathematical model was established with the multi-layer perception (MLP) artificial neutral network methods to identify and predict the polymorphs of clopidogrel bisulfate. The success rate of the model prediction for the polymorphs of clopidogrel bisulfate was 92.7% and the area under the ROC curve was 96.2%. The polymorphs of drugs could be identified and predicted through the numerical description of the three dimensional morphology. The volume, number of the vertices and the surface area were the major determinants for the identification of the polymorphs of clopidogrel bisulfate. |
| 语种 | 中文 |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/266745]  |
| 专题 | 分子影像中心（筹） 药物制剂研究中心 |
| 作者单位 | 1.Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, China 2.Hainan Weikang Pharmaceutical (Qianshan) Co., Ltd., Anqing 246300, China; 3.Jiangxi University of Traditional Chinese Medicine, Nanchang 330004, China; |
| 推荐引用方式 GB/T 7714 | Chen, Long,Wang, Liu-yi,Yin, Xian-zhen,et al. Identification of the polymorphs of clopidogrel bisulfate based on the steric morphology parameters of crystals[J]. Yao xue xue bao = Acta pharmaceutica Sinica,2013,48(9):1459-63. |
| APA | Chen, Long.,Wang, Liu-yi.,Yin, Xian-zhen.,Wang, Jin-can.,Liu, Rui-hao.,...&Zhang, Ji-wen.(2013).Identification of the polymorphs of clopidogrel bisulfate based on the steric morphology parameters of crystals.Yao xue xue bao = Acta pharmaceutica Sinica,48(9),1459-63. |
| MLA | Chen, Long,et al."Identification of the polymorphs of clopidogrel bisulfate based on the steric morphology parameters of crystals".Yao xue xue bao = Acta pharmaceutica Sinica 48.9(2013):1459-63. |
入库方式： OAI收割
来源：上海药物研究所
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