Sciencemadness Discussion Board
Not logged in [Login - Register]
Go To Bottom

Printable Version  
Author: Subject: Chematica
Organikum
resurrected
*****




Posts: 2228
Registered: 12-10-2002
Location: Europe
Member Is Offline

Mood: fluffy!

smile.gif posted on 15-8-2012 at 05:14
Chematica


Chematica a software to find the most feasible route to chemical compounds (seems to integrate libraries of chemical reactions with predictive algorithms taking into account solvents etc.).
Developed by scientists led by Bartosz Grzybowski at the Northwestern University.

Anybody has an unrestricted evaluation copy of this for me? :)

/ORG
View user's profile View All Posts By User
arsphenamine
Hazard to Others
***




Posts: 236
Registered: 12-8-2010
Location: I smell horses, Maryland, USA
Member Is Offline

Mood: No Mood

[*] posted on 16-8-2012 at 11:23


Grzybowski and Chematica get glossed in the Guardian

It is ambitious -- Chematica collects 250 years of empirical syn chem rules and compounds toward the goal of finding optimal syntheses of smaller molecules.

The Angewandte Chemie article is behind Wiley's paywall at DOI: 10.1002/anie.201202155

Full citation:
Rewiring Chemistry: Algorithmic Discovery and Experimental Validation of One-Pot Reactions in the Network of Organic Chemistry†
Dr. Chris M. Gothard‡, Dr. Siowling Soh‡, Nosheen A. Gothard, Dr. Bartlomiej Kowalczyk, Dr. Yanhu Wei, Dr. Bilge Baytekin, Prof. Bartosz A. Grzybowski*
View user's profile View All Posts By User
monglober
Harmless
*




Posts: 2
Registered: 15-11-2012
Member Is Offline

Mood: No Mood

[*] posted on 25-11-2012 at 00:01


1) this is not a new concept

2) this is not the only example of the technology.


Big pharma has been doing this for years, each separately, for the purpose of developing their ability to quickly identify ways to synthesize a target/lead compound.

Pretty much every big pharma company has their own division with devoted Ph.D.s in bioinformatics/mathematics, computer science, and computational chemistry....

highly proprietary.... not for sale, not for license.... Trade secrets as well, not just patents..... This is the type of stuff that genuine corporate espionage targets.


the only real difference is that this technology is general; inorganic synthesis, organometallic synthesis, polymer synthesis, gas phase synthesis, macromolecular, solid state, etc.


I guess the other difference is that you can, in theory, buy this software off the shelf.
View user's profile View All Posts By User
Random
International Hazard
*****




Posts: 1018
Registered: 7-5-2010
Location: In ur closet
Member Is Offline

Mood: Energetic

[*] posted on 24-1-2013 at 05:30


i browse Chematica download and get internet news articles about it.. and not a single way to get it was seen
View user's profile View All Posts By User
Evaporiser
Harmless
*




Posts: 1
Registered: 15-11-2013
Location: Canada
Member Is Offline

Mood: No Mood

[*] posted on 19-8-2014 at 11:00


Oh look at this shiny new technology we have made! Well, actually don't look at it, just listen to these people talk about it, WE ARE NEVER GIVING OUT A COPY!



Never major in your hobby? Chemistry IS my hobby bitch!
View user's profile View All Posts By User
HgDinis25
National Hazard
****




Posts: 439
Registered: 14-3-2014
Location: Portugal
Member Is Offline

Mood: Who drank my mercury?

[*] posted on 28-12-2014 at 17:28


Has there been any developments on this topic? I would love to get my hands on something as powerful as Chematica. Actually, I think everyone would love to have it...

View user's profile Visit user's homepage View All Posts By User
ahmed_1st
Harmless
*




Posts: 1
Registered: 28-7-2017
Member Is Offline

Mood: No Mood

[*] posted on 28-7-2017 at 15:36


we ealy need this software
View user's profile View All Posts By User
CRUSTY
Hazard to Others
***




Posts: 113
Registered: 5-6-2016
Location: Nearby
Member Is Offline

Mood: High-Order

[*] posted on 22-9-2017 at 18:52


Yikes, it doesn't even show up on any torrent hosts. Are you sure it's even released yet?



"I've made a huge mistake"
View user's profile View All Posts By User

  Go To Top