[discuss ifpsc] Re: Feedback requested re: 5th IFPSC proposal
- From: "Moore, Jonathan (J)" <JMoore2@xxxxxxx>
- To: <discuss-ifpsc@xxxxxxxxxxxxx>
- Date: Mon, 4 Feb 2008 12:05:02 -0500
Richard,
Thanks for the feedback about the 5th challenge proposal!
I take your point that the problem would be more interesting if it
incorporated a wide range of test molecules. On the other hand, we've
received feedback that the problem is too difficult to do "properly"
(i.e. to calculate the saturation composition of the octanol phase which
has significant water solubility and related microstructure before you
even get to calculating kow for the given molecules). Another practical
difficulty is the effort and cost of doing the measurements for a large
number of molecules as opposed to a small number. Therefore, my initial
thoughts would be that we have to balance scientific interest with
practical industrial interest with what is a practical effort for an
entrant to devote with what is practical to do in terms of new
experimental measurements. Based on that balance, I'm not sure we
should expand the list of molecules to a large number. For even a small
number of molecules, the problem is at least illustrative of something
practical.
Jonathan
____________________________
Jonathan Moore, Ph.D.
Research and Engineering Sciences - New Products
Core R&D
The Dow Chemical Company
1702 Building, Office 300E
Midland, MI 48674 USA
Phone: (989) 636-9765
Fax: (989) 636-4019
E Mail: jmoore2@xxxxxxx
________________________________
From: discuss-ifpsc-bounce@xxxxxxxxxxxxx
[mailto:discuss-ifpsc-bounce@xxxxxxxxxxxxx] On Behalf Of IFPSC
Sent: Saturday, February 02, 2008 3:46 PM
To: discuss-ifpsc@xxxxxxxxxxxxx
Subject: [discuss ifpsc] Feedback requested re: 5th IFPSC
proposal
FYI - some feedback from Richard Elliott
---------- Forwarded message ----------
From: FreeLists Mailing List Manager <ecartis@xxxxxxxxxxxxx>
Date: Feb 2, 2008 10:17 AM
I think it is a reasonable subject, but I worry about the scope.
The
molecules should be large enough and new enough that the
experimental
values are not available in the literature. And there should be
10 of
them, covering a range of functionalities that might be
interesting as
small pharmaceuticals, not just two.
JRE
Other related posts:
