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Author: Subject: Chematica

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

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? :)

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[*] 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*
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[*] 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.
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[*] 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
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[*] 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!
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[*] 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...

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

we ealy need this software
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[*] 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"
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