Discussion

Robert Belford's picture
Robert Belford | Fri, 03/10/2017 - 13:18
This email is with email in the WYSIWGY This is a new line.

Robert Belford's picture
Robert Belford | Fri, 03/10/2017 - 13:17

This email has nothing added from the WYSIWYG.Here is a new Paragraph

OLCC S198 | Fri, 03/10/2017 - 02:45

My name is Lyndsie. I am an undergraduate at the University of Arkansas at Little Rock. I will be graduating in December 2017 with a B.A. in chemistry and a minor in secondary STEM education. Upon graduation, my goal is to teach high school chemistry for at least ten years and then make my way into a geochemistry field.

With that being said, I am very interested in your project and I would love to work with you guys. I believe this is a very important issue and I am really glad to see (in the video) people making progress in dealing with emissions and investing in the future of our Earth. I would also like to discuss the fact that a large portion of the population does not believe that CO2 is a problem and that climate change does not exist. As a future educator, I think that it is important for me to be able to teach my students information literacy, which ties in with special topic 1. There is a lot of information out there and I believe if we are going to make a difference we need to teach people how to differentiate between science and propaganda. 

So, in short, I would love to work with you guys on this project. And, if you have any ideas on how we can successfully inform the non-scientific community of its importance, I would love to incorporate or at least have a discussion about it.

Thank you!

OLCC S52 | Thu, 03/09/2017 - 21:53

Hello everyone!  

Along with Chandler and Jeremy, I would love to be apart of this project.  I do not have much knowledge on programming but always have had a passion on furthering it because I truely believe it is our future.  Along with this project including concepts that we would be able to use in an everyday aspect, such as the SMILES and incorporating chemical data with that just motivates me even more to get on board and see where, as a group, we can bring this project.  

Matea

OLCC S53 | Thu, 03/09/2017 - 18:57

Hello,

I would like to participate in this project on using a program to read written input and accurately convert to data that computers can use and output results.  I have a background in computer science and this would interest me to figure out how to design a program that would be able to read the images and convert perfectly.

Chandler.

OLCC S51 | Thu, 03/09/2017 - 11:15

Hello,

I am greatly interested in working on this project this semester! I find it exciting to be able to connect a program such as this to a database of molecules. I believe this project has a lot of potential to help students and instructors of chemistry in general. I am quite curious to see if we could possibly optimize this program to help read structures more efficiently. I am looking forward to helping out!

Jeremy

Stuart Chalk's picture
Stuart Chalk | Wed, 03/08/2017 - 18:36

You can try doing 'Save page as...' (i.e. in Firefox) or the euivalent in another browser but I think it is better/easier to do the following.  In Firefox you can right mouse click and 'View Page Source'.  When that page comes up you can 'Save page as...' from teh File menu (our right click and select that option from the dialog).   Even if the file is saved with a .html extension you can change the extension to .txt and open it in your favorite text editor.

Damon Ridley's picture
Damon Ridley | Tue, 03/07/2017 - 10:10

Amita

The history here is that Sunghwan, Anja, and I thought it may be interesting for students to make their own assessments on similarities and differences - in other words, exactly what you are asking is the type of thing we would like you to assess in the student project.

While we haven't designed the exact way the project would be run (we would rather students decide that), we are thinking that if we can get a few students interested then each of them may tackle one aspect.  Finally the results students come up with would be collated.

In making comparisons like this you have to consider the content, which could be broken into documents, substances, reactions and properties - but that's not just a simple matter of saying (in comparing "substances"), e.g., there are 250 million PubChem Substances, 95 million PubChem Compounds and 28 million Reaxys Substance Records (or whatever the latest numbers are).  What you have to do is to look at what type of information, on average, is in the Substance/Compound records.  

Then you have to do the same for comparing "documents", "reactions", and "properties". 

Another thing to consider is the search interface - how you search.  Here I can perhaps let you know (without giving too much away) that you can indeed search PubChem Compounds through the Reaxys interface, but you cannot search Reaxys Substance Records through the PubChem interface.  So one student may, for example, wish to investigate the different results you get when searching PubChem Compounds through the PubChem interface and the Reaxys interface.   You may think you'd get the same result (you are searching the same data), but, NO, you may get different results because of the way the two systems search.

From memory you were interested in nanomaterials and water-treatment, right?   That being the case, you may wish to compare ways of searching for such topics in PubChem/Reaxys.  Probably the way it would work is that Sunghwan would work with you on options in PubChem, while Anja/I would help you with Reaxys.  However, while such an analysis may be of interest to you (and others working in the area), such a topic (and other very specific topics) may not be suitable for such analysis because it may turn out that you can only find this information in one of the products - and that can be found out very quickly.

Of course one of the huge differences between PubChem and Reaxys is that one is in the public domain (and is funded effectively though "public money") whereas the other is a proprietary product (and is funded through charges to those who access it). 

I don't want set down rules at this stage, and we'd rather interested students let us know and once we have a group then together we would work out sub-projects.   Having said that one of the things that does not seem to have been discussed during this Spring 2017 course is, out of all the available information "out there" which sources should I choose and when - and we shall try to answer the question relating to PubChem/Reaxys either together or separately at least for the projects that we undertake together.

Damon

Olcc S14 | Tue, 03/07/2017 - 08:47

Hello,

I am interested in this project as a part of this course. I am hopeful to use both PubChem and Reaxys in research work. Before I begin with it, can you tell me about PubChem and Reaxys, their similarity and differents? How can they get collaborated?

Looking forward to hearing from you.

Thank you

Amita