| 查看: 326 | 回复: 4 | ||
| 【奖励】 本帖被评价4次，作者yalefield增加金币 4 个 | ||
| 当前主题已经存档。 | ||
[资源]
The Trouble with QSAR
|
||
|
(or How I Learned To Stop Worrying and Embrace Fallacy) Stephen R. Johnson* Bristol-Myers Squibb, Co., J. Chem. Inf. Model. 2008, 48, 25-26 Abstract: A general feeling of disillusionment with QSAR has settled across the modeling community in recent years. Most practitioners seem to agree that QSAR has not fulfilled the expectations set for its ability to predict biological activity. Among the possible reasons that have been proposed recently for this disappointment are chance correlation, rough response surfaces, incorrect functional forms, and overtraining. Undoubtedly, each of these plays an important role in the lack of predictivity seen in most QSAR models. Likely to be just as important is the role of the fallacy cum hoc ergo propter hoc in the poor prediction seen with many QSAR models. By embracing fallacy along with an over reliance on statistical inference, it may well be that the manner in which QSAR is practiced is more responsible for its lack of success than any other innate cause. |
回复此楼» 猜你喜欢
重庆交大26年硕士生招生拟调剂通知已出！欢迎加入光子学微结构与器件课题组。
已经有0人回复
-
UJN物理学专业调剂
已经有12人回复
-
物理学I论文润色/翻译怎么收费?
已经有142人回复
-
北京纳米能源与系统研究所王中林院士/曹南颖研究员课题组招收2026硕士研究生1名
已经有0人回复
-
山西大同大学物理学硕士研究生招收调剂生
已经有0人回复
-
[调剂信息]211智能人工感知方向国家青年特聘专家课题组招收调剂研究生
已经有0人回复
-
［调剂信息］211智能人工感知方向国家青年特聘专家课题组招收调剂研究生
已经有0人回复
-
[调剂信息]211智能人工感知方向国家青年特聘专家课题组招收调剂研究生
已经有0人回复
-
一志愿物理所凝聚态物理352求调剂
已经有0人回复
-
0702一志愿吉大B区求调剂 本科期间发表一篇Sci
已经有0人回复
2楼2008-01-29 10:11:20
