tag:blogger.com,1999:blog-684443317148892945.post2220367531445856632..comments2024-02-29T23:54:39.092-08:00Comments on RDKit: Picking diverse compounds from large setsgreg landrumhttp://www.blogger.com/profile/10263150365422242369noreply@blogger.comBlogger2125tag:blogger.com,1999:blog-684443317148892945.post-64829432790176826892019-01-28T01:40:25.048-08:002019-01-28T01:40:25.048-08:00How to get molecule ids of picked molecules?
How to get molecule ids of picked molecules?<br />Nilesh Tawarihttps://www.blogger.com/profile/03867609512647752051noreply@blogger.comtag:blogger.com,1999:blog-684443317148892945.post-27565620835852752322014-08-14T10:05:28.924-07:002014-08-14T10:05:28.924-07:00Welcome back!
I agree 100% with your post and I&#...Welcome back! <br />I agree 100% with your post and I've always been skeptical towards presentations/papers of overly sophisticated diverse selection methods which are effectively just a tiny bit more than expensive random number generators.<br />Btw, this has been confirmed in the bioactivity space too: http://pubs.acs.org/doi/abs/10.1021/ci0503558<br /><br />Anonymoushttps://www.blogger.com/profile/18414967060522745603noreply@blogger.com