Perl 6 - the future is here, just unevenly distributed

IRC log for #cdk, 2014-04-01

| Channels | #cdk index | Today | | Search | Google Search | Plain-Text | summary

All times shown according to UTC.

Time Nick Message
00:26 slyrus joined #cdk
01:46 ilbot3 joined #cdk
01:46 Topic for #cdk is now The Chemistry Development Kit (http://cdk.sf.net) | JUnit CDK 1.2.7: 15690, 76 fails + 15 errors (0.58%) | Logs at http://moritz.faui2k3.org/irclog/out.pl?channel=cdk | CDK News Feed: http://friendfeed.com/rooms/chemistry-development-kit
04:51 egonw joined #cdk
05:07 jbrefort joined #cdk
06:46 egonw joined #cdk
06:47 egonw_ joined #cdk
07:11 konditorn joined #cdk
07:30 jonalv joined #cdk
07:34 egonw_ joined #cdk
08:00 Gpox joined #cdk
08:48 21WAANBRG joined #cdk
09:43 egonw_ joined #cdk
10:44 jonalv joined #cdk
11:53 konditorn joined #cdk
13:42 konditorn joined #cdk
13:56 samuell joined #cdk
14:26 jonalv egonw_: ping
14:28 egonw_ pong
14:32 jonalv egonw: do you know anything about the Bcut implementation in CDK?
14:32 jonalv have you used it?
14:32 egonw not much
14:33 egonw I think Rajarshi wrote it
14:33 jonalv Is there some sort of grid based selection implementation available too for using to to select subsets?
14:33 jonalv yea I think so too
14:34 jonalv because if I understand things correctly it can be used with a cell based approach to pick representative subsets
14:35 jonalv egonw: I guess my real question is if such an approach exists in CDK or if the descriptor is all that is avilable
14:36 egonw best to ask on cdk-user@
14:36 egonw but I'm not sure what you refer to with a grid-based subset selection here...
14:39 jonalv egonw: well put each substance in a grid based on the values of the descriptors (probably more than 2 dimensions) then pick a random substance from each cell in that grid in order to get a represenative subset
14:39 egonw OK, yes, that's an option...
14:39 egonw you could also try a self-organizing map
14:40 egonw which has the advantage that it deals with overloaded grid cells...
14:40 jonalv okey
14:40 jonalv that sounds neat
14:41 egonw http://www.citeulike.org/user/egonw/article/5656657
14:53 jonalv egonw: since you have worked with this. Do you have a feeling for how well self organising maps scales when there are many substances, say in the order of a million?
14:53 egonw it scales linearly
14:55 egonw jonalv: also look at this paper http://scholar.google.com/scholar?cluster=3199578862602582632&hl=en&as_sdt=1,5
14:55 zarah egonw's link is also http://tinyurl.com/o3ltrz2
14:56 jonalv egonw: will do, thanks!
15:09 samuell joined #cdk
15:10 egonw jonalv: seen this? http://sulab.org/2013/12/the-network-of-biothings/
15:10 egonw there is a EU event to match the USA one, here in Maastricht
15:10 jonalv egonw: nope not seen that
16:02 egonw joined #cdk
16:19 slyrus joined #cdk
16:30 samuell joined #cdk
17:34 egonw joined #cdk
17:54 konditorn_ joined #cdk
18:21 jbrefort joined #cdk
18:42 slyrus joined #cdk
20:17 slyrus joined #cdk
22:08 sneumann_ joined #cdk
22:19 sneumann joined #cdk

| Channels | #cdk index | Today | | Search | Google Search | Plain-Text | summary