tag:blogger.com,1999:blog-1136153439451224584.post5422853589685293215..comments2024-03-27T06:45:59.174-07:00Comments on Practical Fragments: Safran Zunft ChallengeDr. Teddy Zhttp://www.blogger.com/profile/07288045760981372367noreply@blogger.comBlogger11125tag:blogger.com,1999:blog-1136153439451224584.post-60329342027804963512014-10-04T08:09:16.910-07:002014-10-04T08:09:16.910-07:00Good point Anonymous - the particular molecule sho...Good point Anonymous - the particular molecule shown does look a bit <a href="http://practicalfragments.blogspot.com/2014/04/funky-fragments.html" rel="nofollow">funky</a>!Dan Erlansonhttps://www.blogger.com/profile/07927082337051189270noreply@blogger.comtag:blogger.com,1999:blog-1136153439451224584.post-7228007949303131162014-10-04T02:46:22.483-07:002014-10-04T02:46:22.483-07:00Gotta love those vinyl sulfonamides - nothing like...Gotta love those vinyl sulfonamides - nothing like some reactive fragments to spice up a collection.<br /><br />So, unlike Dan, I'd bet on a higher hit rate!Anonymousnoreply@blogger.comtag:blogger.com,1999:blog-1136153439451224584.post-64648060889059218902014-10-03T05:50:39.395-07:002014-10-03T05:50:39.395-07:00How does the bet work if some of Damian's comp...How does the bet work if some of Damian's compounds show LEAN greater than the chosen cut off? Is he allowed to use Ki or Kd to define the efficiency metric? How will you account for the uncertainty in the measured activity when settling the bet?Peter Kennyhttps://www.blogger.com/profile/12180360326821860667noreply@blogger.comtag:blogger.com,1999:blog-1136153439451224584.post-66404078158471257232014-10-03T03:46:56.275-07:002014-10-03T03:46:56.275-07:00I should note that the molecule shown has NOT been...I should note that the molecule shown has NOT been tested, but instead that is what it will need to be active to have a LEAN of 0.3. Dr. Teddy Zhttps://www.blogger.com/profile/07288045760981372367noreply@blogger.comtag:blogger.com,1999:blog-1136153439451224584.post-65053166037186527632014-10-01T21:20:17.080-07:002014-10-01T21:20:17.080-07:00I like the fact that DOS-derived molecules tend to...I like the fact that DOS-derived molecules tend to look somewhat different than most commercial fragments. I do agree that they also appear more complex, and are thus likely to have a lower hit rate. That said, if they have better physicochemical properties and are easier to analog, this may be an acceptable trade-off. I look forward to seeing how the data shake out, and who wins the Safran Zunft Challenge!Dan Erlansonhttps://www.blogger.com/profile/07927082337051189270noreply@blogger.comtag:blogger.com,1999:blog-1136153439451224584.post-1449238166636050192014-10-01T13:04:03.099-07:002014-10-01T13:04:03.099-07:00Teddy, thanks for framing the Safran Zunft Challen...Teddy, thanks for framing the Safran Zunft Challenge. It made for some excellent and lively discussion in Switzerland. Come 2016 in Boston we will have the data to put this one to rest.Damian Youngnoreply@blogger.comtag:blogger.com,1999:blog-1136153439451224584.post-64276028715405641222014-10-01T12:36:15.302-07:002014-10-01T12:36:15.302-07:00And fixed. TYVM Anonymous.
And fixed. TYVM Anonymous.<br />Dr. Teddy Zhttps://www.blogger.com/profile/07288045760981372367noreply@blogger.comtag:blogger.com,1999:blog-1136153439451224584.post-64701418419712678552014-10-01T12:18:19.701-07:002014-10-01T12:18:19.701-07:00His name is Lukasz Skora.His name is Lukasz Skora.Anonymousnoreply@blogger.comtag:blogger.com,1999:blog-1136153439451224584.post-37634088952936586522014-10-01T08:23:12.164-07:002014-10-01T08:23:12.164-07:00Perhaps you could make the response of activity to...Perhaps you could make the response of activity to molecular size the focus of your bet and you wouldn't have to worry about your arbitrary choice of reference concentration? Peter Kennyhttps://www.blogger.com/profile/12180360326821860667noreply@blogger.comtag:blogger.com,1999:blog-1136153439451224584.post-57599503201322040992014-10-01T07:27:14.512-07:002014-10-01T07:27:14.512-07:00I totally forgot his name and I feel horrible. I a...I totally forgot his name and I feel horrible. I am hoping someone knows the name, so I can edit the post. Dr. Teddy Zhttps://www.blogger.com/profile/07288045760981372367noreply@blogger.comtag:blogger.com,1999:blog-1136153439451224584.post-17905191843273371902014-10-01T07:00:59.427-07:002014-10-01T07:00:59.427-07:00Who was Wolfgang Jahnke's post-doc? It seems ...Who was Wolfgang Jahnke's post-doc? It seems kind of weird to focus more on the supervisor than the person who made the shirt.Brandon Findlayhttp://chemtips.wordpress.comnoreply@blogger.com