Rajarshi Guha

alter session set NLS_DATE_FORMAT='DD-MM-YYYY HH24:MI:SS'; - Rajarshi Guha

snow? - Egon Willighagen

http://cran.r-project.org/web... - Rajarshi Guha

Funny they mention a 31-sized steroid set... in my PhD I studied a 42-sized steroid set, which was *way* *too* *small* to make *any* statistical comparison between models, let alone prove any effect of including 3D information... I wonder how they manager to do that with only 31 molecules! - Egon Willighagen

One should probably ask, the same question of all the people who have used the steroid data in the past - Rajarshi Guha

Rajarshi, nice summary. It sounds like you are dealing with a lot of quantitative signal screens. My experience is dealing with researchers on scoring based RNAi screens. These are more painful for them to do and the scoring is more subjective, so there is a strong tendency to err towards including more false positives. Elimination often occurs in secondary or tertiary screens. - Brad Chapman

Rajarshi -- yes, that's exactly right: phenotypic screens with ranked categories, like 0-4 with 4 having the most prominent and 0 having none of the phenotype of interest. Definitely would love to hear how you approach these when you come to them. In my experience, scientists preferred easier to interpret mean/median style cutoffs. It's generally no problem to have a few extras in follow up screens -- what is one extra plate when you've already screened hundreds? Best of luck with the research. - Brad Chapman

Cool. Congrats!!! - Deepak Singh

Thanks! - Rajarshi Guha

Nice work. I wonder how many talks I will have to sit through where I hear people express surprise that two compounds are structurally very similar but display very different activities. I can now use "QSAR Cliff" in my irritated question. Thanks! - Matthew Todd