Ridiculously interesting paper on the statistical relationship between structure (mainly non-H atoms) and binding affinity. Ought to have read this before.
- Matthew Todd
from Bookmarklet
Egon BTW - the reactions we're collecting in the Reactions Attempts database are machine readable and our Explorer exploits that to perform a boolean search that includes reaction type http://showme.physics.drexel.edu/onsc...?
- Jean-Claude Bradley
"The FDA has approved Eisai's Halaven (eribulin) for late-stage breast cancer. As far as I can tell, this is now the most synthetically complex non-peptide drug ever marketed. Some news stories on it are saying that it's from a marine sponge, but that was just the beginning. This structure has to be made from the ground up; there's no way you're going to get enough material from marine sponges to market a drug."
- Matthew Todd
from Bookmarklet
"The Nobel laureate John Cornforth said it well: he defined the perfect synthesis as one which could be done by a one-armed operator by pouring down a mixture of chemicals down a drain and collecting the product in one hundred percent yield and stereoselectivity at the other end." - this is what we are doing with most of our projects with PZQ. I love this definition.
- Ahamed
"Chemistry is one of the great non-verbal disciplines. In so many ways it reminds me of music." Nice article by a non-chemist about chemical structures and their representation.
- Matthew Todd
from Bookmarklet
"Need to figure out if an atom is negative, positive, or neutral? Here’s the formula for figuring out the “formal charge” of an atom: Formal charge = [# of valence electrons] – [electrons in lone pairs + 1/2 the number of bonding electrons]"
- Matthew Todd
from Bookmarklet
Hilarious post and comments. "Perhaps I'm being unfair here. But really, amide formation is not a problem that is crying out for a new solution. "
- Matthew Todd
from Bookmarklet
"Andrew Streitwieser, a legend in the field of physical organic chemistry, published his first paper as a high school student. It was a single-author communication in JACS submitted from his home address in Queens."
- Matthew Todd
from Bookmarklet
I wonder, could this happen in todays world?
- Rajarshi Guha
My second paper was a single-author from my home address... not quite JACS, and I would not presume stepping in the footprints of Streitweiser here, but yes, I think it is still possible... people just do not do it. A highranking journal will probably give trouble, because home science doesn't have funding, so cannot be good anyway...
- Egon Willighagen
It is. It's why I left the field even though in my heart I've always been a chemist
- Deepak Singh
That along with Bjoern's quantity of quality post make for depressing reading. The worst bit of course being that whatever your career stage (and these days even if you notionally have tenure) that you're never 'safe' and never confident that you're doing the right thing...
- Cameron Neylon
Bachrach post on http://dx.doi.org/10...: "Thus, the Thorpe-Ingold acceleration is due to solvent. Analysis of the hydrogen bonded structures and the solute-water pair distributions suggest that increasing alkyl substitution reduces the strength of solvation of the reactant, leading to the lower activation barrier."
- Matthew Todd
from Bookmarklet
"Cresset is proud to announce the free download release of FieldView, its powerful new molecular Fields visualizer. FieldView is a molecular viewer/editor that is designed to show molecules with their associated Field patterns and physicochemical properties."
- Matthew Todd
from Bookmarklet