| 查看: 383 | 回复: 2 | ||
huqionghhkk木虫 (小有名气)
|
[求助]
求助有机化学翻译一小段
|
|
To refine our chemical intuition about similarities and differences among CC, NP, and DC′, we analyzed PCA coefficients to learn which properties are correlated (Fig. 2A), and how these properties vary in each set (Fig. 2B). Not surprisingly, PSA is correlated with Ha and Hd, and NP has high variation in this direction, consistent with other studies (19, 21). Similarly, Rot is correlated with MW, and these properties, along with cLogP, account for much of the variation in DC′. Previously, we classified these compounds for binding specificity in protein-binding profiles (48). Using similarly defined specificity groups (“specific”: bound 1 protein; “intermediate”: bound 2–5 proteins; “promiscuous”: bound 6þ proteins), we asked whether compounds in different groups are concentrated or distributed in the property space (Fig. 2C). |
回复此楼
【答案】应助回帖
huqionghhkk(金币+15): 2011-09-29 22:55:16
| 为了提炼我们关于CC, NP, and DC′的异同点的化学直觉，我们分析了PCA系数（主成分分析）以便了解哪些性质是相关联的（图2A），以及这些性质在每个集合中在哪些方面有差异(图2B).不出所料,PSA与Ha和Hd有关联，并且和NP在此方向有很高的差异性，与其他研究（19，21）结果一致，相似的，Rot与MW相关联，以及这些特性，与CLOGP一起，对DC'中的差异性做出了大量的解释。之前，我们将这些化合物归类为在蛋白结合面（48）中的特异专一性。使用相似的定义为特异性基团（特异性：束缚1蛋白："中间体"：束缚2-5蛋白："杂乱的"：束缚6：蛋白），我们问了在不同基团的化合物是集中的还是分布在空间里的（图2C） |
2楼2011-07-06 13:49:02
huqionghhkk
木虫 (小有名气)
 |
3楼2011-09-12 00:48:43
