The Power of Models

I'm going to break non-discolusre agreement, here... may be... or may be not. but haven't talked about my work for a while. I'm currently developing predictive models for generic cardio toxicity
to be used by chemist to decide which way to go when they are pondering about new syntheses. usually, they make the molecule, then send it to the biologists to test it against some protein target. ion channels in the case of cardio toxicity, the same proteins which lets ion in and out of the cardiac cells when your heart beats - if you stop them, goodye heart - and life too.
in vitro inhibition of the channels is good indication that something nasty may happen in vivo. so if the molecules come back with a red flag, well, they've had it, and it's back to the drawing table (and the synthesys bench).

but now there's another way. with my models, they do not have to synthesize the molecule any more - they can use the models I created (based on previous experience - i.e. on the data accumulated in years of trial and errors procedures) to see whether the molecule is active or not just from its expected chemical structure.

and the incredible thing is, it works! as good as the best ion channel inhibition test they've used until now.

here's a picture:

the three bars on the left represent the percentage of success of the three commonly used ion channel assays. Sodium, Calcium and Potassium. this percentage tells you that for example the socdium channel assay is consistent with cardiotoxicity for 80% of the time. whether there's or there is no toxycity, that is.
on the right, instead, the success percentage of two models I built, one based on bayesian statistics and arcane entities called fingrprints - the other one on chemical properties and the exotheric practice of Projection to Latent Structures by means of Partial Least Squares - Discriminant Analysis (PLS-DA for friends).
as you can see, both are slightly below the sodium accuracy, but the good thing is, you need to make the molecule for the assay - with my test, it's all done in one second or less within a computer... and this rocks!!!

see you soon! I'm going to enjoy a well deserved week end, now!!!

neck pain?

and before you think I'm complaining some more about my physical state, have a look at this: http://scienceblogs.com/pharyngula/2006/07/development_medicine_and_evolu.php

once again, PZ Myers at Pharyngula shed some lights on a very interesting piece of evolutionary biology...

had I had a biology professor as good as him, and not that pretty face of my teacher, I'd probably be in Richard Dawkins lab, right now... she had nice legs though... :-)

have a nice week end!!!

EDIT: and there's an update to the question, also showing how disagreeing and competing teams of scientists can nonetheless exchange data and information in order to solve the issue. at least until new data comes around to mess up the scene... GOD!!! I love science...

Live Wires

here's a scientist at Pacific Northwestern Laboratories that has discovered something very curious. some bacteria are able to conduct and exchange electricity between themselves.

don't really have time right now to comment on this. go and read the link... and have a nice week end!

what kind of animal is this?

yesterday I was going to prepare myself a pasta... never mind the recipe, what happened awakened my naturalist side and sidetracked me...

when I took the pan from the cupboard this tiny beast was in there...

Now, I have absolutely no idea of what it could be... it did look like a tail-less scorpion, but the big legs are in fact at the back... and from the enlarged piccies you can see that there's antennae at the front... I don't know whether the flurry stuff he's got all over it's natural, or it's put there on purpose... my guess is that it fell down from the wooden flooring of my kitchen cupboards onto the pan...
here's a few enlarged shots...



I spent a few minutes playing wit him and taking pictures, then it dropped on the floor and escaped under my washing machine...

if anybody could tell me what it is, I would be grateful...

tooth ache...

I'm plagues by pain since a few days... steady, and ennoying... can endure it but takes the joy out of life, really...
actually, it's more like a 'mouth ache'... my gums swell and the teeth close-by seems on the verge of falling (and a old friend knows how much I fear this)... my private doctor says it may be aftosis, but she hasn't really watched inside my mouth... mah...

anyway, I'd be tempted to shot a piccie with my mobile phone, and post it... but I'll spare you... god it hurts... see you soon, I'm going to buy a mouthwash...

unexplained diarrhea

No, it's not me to be sick. nor is anyone I know... just wanted to point your attention to this interesting post aout an unexplained epidemic outbreak of Diarrhea. from aetiology, as usual... the post, not the diarrhea... you silly... :-[

Campioni del Mondo!!!

do I need to say anything else? I'm sorry for the frenchies who read this blog... or may be not. we won fair and square.