The Ur-Quan Masters Home Page Welcome, Guest. Please login or register.
Did you miss your activation email?
August 15, 2018, 01:40:36 pm
Home Help Search Login Register
News: Yes. We have good news! Well, that is to say, we have no news. But it is good news.

+  The Ur-Quan Masters Discussion Forum
|-+  The Ur-Quan Masters Re-Release
| |-+  Starbase Café (Moderator: Death 999)
| | |-+  Open Access Scientific Databases
« previous next »
Pages: 1 [2] Print
Author Topic: Open Access Scientific Databases  (Read 376 times)
Zanthius
Enlightened
*****
Offline Offline

Posts: 769



View Profile
Re: Open Access Scientific Databases
« Reply #15 on: August 09, 2018, 10:57:14 pm »

Quote
Chemists test Chematica's ability to generate synthetic routes



Summary
The Chematica program was used to autonomously design synthetic pathways to eight structurally diverse targets, including seven commercially valuable bioactive substances and one natural product. All of these computer-planned routes were successfully executed in the laboratory and offer significant yield improvements and cost savings over previous approaches, provide alternatives to patented routes, or produce targets that were not synthesized previously.

https://phys.org/news/2018-03-chemists-chematica-ability-synthetic-routes.html

Now, this is only going to be used by big companies, and rich universities, since it is so expensive. If we can make an open source version of something like this, it might benefit all of humanity to a much higher degree.

Look at these guys:

Quote



Meet the Anarchists Making Their Own Medicine
The Four Thieves Vinegar Collective is a network of tech-fueled anarchists taking on Big Pharma with DIY medicines.

https://motherboard.vice.com/en_us/article/43pngb/how-to-make-your-own-medicine-four-thieves-vinegar-collective
« Last Edit: August 10, 2018, 12:24:42 am by Zanthius » Logged
Zanthius
Enlightened
*****
Offline Offline

Posts: 769



View Profile
Re: Open Access Scientific Databases
« Reply #16 on: August 14, 2018, 11:55:17 pm »

Two women are starting to work with adding reactions to https://www.ratedreactions.com tomorrow, so hopefully, I will soon have much more reactions there.

I am trying to figure out how to make canonical SMILES. There is an article about it here, http://ctr.wikia.com/wiki/Convert_a_SMILES_string_to_canonical_SMILES, but I am programming with PHP/Javascript/HTML, and lots of those algorithms seem to be written in C which I don't think I can execute from my web server. I think it should be possible to convert a SMILES string to canonical SMILES in PHP. I only need to use this algorithm before I save SMILES into the database, and after people have drawn reaction schemes. So it doesn't necessarily need it to go as fast as C code.



Any help would be greatly appreciated.
« Last Edit: Today at 12:00:42 am by Zanthius » Logged
Pages: 1 [2] Print 
« previous next »
Jump to:  


Login with username, password and session length

Powered by MySQL Powered by PHP Powered by SMF 1.1.21 | SMF © 2015, Simple Machines Valid XHTML 1.0! Valid CSS!