| 書目名稱 | Molecular Modeling and Prediction of Bioactivity | | 編輯 | Klaus Gundertofte,Flemming Steen J?rgensen | | 視頻video | http://file.papertrans.cn/639/638400/638400.mp4 | | 圖書封面 |  | | 描述 | Much of chemistry, molecular biology, and drug design, are centered around the relationships between chemical structure and measured properties of compounds and polymers, such as viscosity, acidity, solubility, toxicity, enzyme binding, and membrane penetration. For any set of compounds, these relationships are by necessity complicated, particularly when the properties are of biological nature. To investigate and utilize such complicated relationships, henceforth abbreviated SAR for structure-activity relationships, and QSAR for quantitative SAR, we need a description of the variation in chemical structure of relevant compounds and biological targets, good measures of the biological properties, and, of course, an ability to synthesize compounds of interest. In addition, we need reasonable ways to construct and express the relationships, i. e. , mathematical or other models, as well as ways to select the compounds to be investigated so that the resulting QSAR indeed is informative and useful for the stated purposes. In the present context, these purposes typically are the conceptual understanding of the SAR, and the ability to propose new compounds with improved property profiles. H | | 出版日期 | Book 2000 | | 關鍵詞 | chemistry; chemometrics; development; drug discovery; future; protein; receptor | | 版次 | 1 | | doi | https://doi.org/10.1007/978-1-4615-4141-7 | | isbn_softcover | 978-0-306-46217-7 | | isbn_ebook | 978-1-4615-4141-7 | | copyright | Springer Science+Business Media New York 2000 |
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