March 28, 2024, 01:23:36 PM
Forum Rules: Read This Before Posting


Topic: REaction mechanism software?  (Read 6280 times)

0 Members and 1 Guest are viewing this topic.

gounisrinivas

  • Guest
REaction mechanism software?
« on: August 17, 2005, 03:04:32 PM »
Dear all,

is there any software that draws the reaction mechanisms or similar ( given the  reactants and products), which helps the undergraduates to learn reaction mechanisms.

petsensor

  • Guest
Re:REaction mechanism software?
« Reply #1 on: August 18, 2005, 11:47:20 PM »
as I know, not such a software up to now. But it is really to have one if it is available in the future.

Offline alphahydroxy

  • Full Member
  • ****
  • Posts: 194
  • Mole Snacks: +7/-6
  • I'm a lumberjack, and I'm OK !
Re:REaction mechanism software?
« Reply #2 on: August 19, 2005, 04:09:24 AM »
I remember seeing something like this a few years back - it was in a beta form. However, I think it was very expensive and also very limited (at that time) - It'd be a pretty full on piece of software that could take some random reagents to a product, and would presumably require lots a number crunching power and a great deal of time and expense for development...

I think you really are better sticking to sites like, the org chem portal and ecompounds ( and this site of course ;)  )

get a copy of sykes too. and clayden!


Offline Dude

  • Chemist
  • Full Member
  • *
  • Posts: 237
  • Mole Snacks: +42/-9
  • I'm a mole!
Re:REaction mechanism software?
« Reply #3 on: August 19, 2005, 08:57:45 AM »
A co-worker of mine recently went to a course at Stanford based on Organic Preparations.  Although most were not directly reaction mechanism software, he gave me a list of some of the programs used for synthetic preparation logic:

CAMEO Computer assisted mechanistic evaluation of organic reactions
EROS   Evaluation of Reactions for Organic Synthesis
SOPHIA  System for Organic Reaction Prediction by Heuristic Approach


Wender was the name of the guy who gave the talk.

laotree

  • Guest
Re:REaction mechanism software?
« Reply #4 on: August 20, 2005, 10:56:56 AM »
How many IT guys understand reaction mechanism? How many organic chemists understand IT? Can you trust the software?

Sponsored Links