March 29, 2024, 11:14:34 AM
Forum Rules: Read This Before Posting


Topic: QSAR equation conundrum  (Read 3963 times)

0 Members and 1 Guest are viewing this topic.

Offline silentelysium

  • New Member
  • **
  • Posts: 8
  • Mole Snacks: +1/-0
  • Gender: Female
QSAR equation conundrum
« on: June 08, 2010, 04:35:57 PM »
I don't really know where to put this but because this question is from my medicinal chemistry class then I'll assume it fits nicely in this forum.

I sent an email to my lecturer but he hasn't replied yet, I'm hoping to get a faster response from you guys so I can cover this quickly. I have an exam for this soon.

I got this from one of his lecture slides:

log (1/C) = 0.398π - 1.089σ + 1.03Es+ 4.4541 – monoamine oxidase inhibitor

If π is log P (I’m not quite sure if π is log P because I can’t find it in his lecture notes saying so) then that means this increasing lipophilicity helps with its activity. If σ is negative, does that mean activity favours electron donating groups and if Es is positive, it means that increasing in steric bulk favours activity.

Is that correct? I’m trying to find other sources which may further explain this but some are a bit too advanced for my liking. Also, is 0.398π the gradient if it was plotted in a graph and 1.089σ + 1.03Es+ 4.4541 is the y-intercept? Or am I getting it wrong?

I hope you can help me out!

Thanks.

Offline J.I.

  • Regular Member
  • ***
  • Posts: 13
  • Mole Snacks: +0/-0
  • Gender: Male
Re: QSAR equation conundrum
« Reply #1 on: September 20, 2010, 12:31:38 AM »
pi is the substituent hydrophobicity constant and it is related to logP. 4.4541 is the y intercept, other terms in your equation are your independent variables and the number preceeding it is its slope.

Sponsored Links