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OLCC Projects

This page is where students and faculty can discuss projects

Please make comments on possible projects and we will add it to the list.

Students: Email Bob Belford ( ) if after choosing a project you would like to team up with students from another school or a mentor.  We will then assign one of the OLCC Project pages to you, and that will give you an opportunity to bring on board mentors and other students.  Once you have an OLCC Project Page, you should subscribe to it.  

Mentors:* If you would like to work with students, we can create a project page, and students can then join

Here are some possible suggestions, be sure to look at any group project pages below too.  Please note that your final project topic needs the approval of your school's faciliator, and two students from the same school can not be in the same group project. 

  • Analysis of InChI strings for functional group identification*
  • Annotation of Flow Analysis References with key concept metadata*
  • Crosswalking the metadata of solubility data to a new scientific data model*
  • Development of a website to semantically annotate data from the NIST Data Challenge*
  • Tool to use Crossref data to show the ancestry of scientific publications*
  • Development of a website to complete the NIST Webbook species list with CAS #'s
  • Development of a website to view and search ONLY the spectra available on the ChemSpider website
  • Retrieval of DOI's for references from the IUPAC solubility data series (x5)
  • Metadata verification of solubility data in the IUPAC solubility data series (x5)
  • Incorporation of PubChem LCSS into Electronic Laboratory Notebook

All students need to submit an abstract for their project to the ACS OLCC Cheminformatics Symposium in San Diego, even if you do not plan to go.  Your facilitator will provide instructions.  In late Novemember we will decide which projects will be presented and remove all submissions that will not be presented.  This will not have a bearing on your grade (the meeting is 3 months after the course is over).

Project WebSites:  Students from different schools can collaborate on projects and students can work with mentors.  The following pages are to allow students and mentors the opportunity to communicate.  Anyone who is interested in a specific project should subscribe to that project page. Students have the ability to edit and upload material to the project pages.


Potential OLCC Project with Mentors

Students, click on the above title and you will get information on some potential projects we have mentors for.

1. Herman Bergwerf: Projects involving MolView
2. Otis Rothenberger: Projects involving CheMagic Model Kit Mini (MKM)
3. Jordi Cuadros: Using Wikipedia to Interface PubChem and ChemSpider for international users
4. Jordi Cuadros: A Chemistry Add-on for Libre/OpenOffice Calc
5. Leah McEwen: Analysis of text frequency in PubChem

OLCC Project 1: NMR Project in Progress

Hello All,

I wanted to share with you all my project that I am working on here at Centre. During my time as a student, I have learned how long it can take to look up one literature spectrum to see if it is a potential contaminant within an obtained spectrum. For this, I have created a Java program that can access a database, retrieve the pertinent signal values, and then graph them on a plot to allow you to see where they are. Currently the program does work with hydrogen NMR, but I plan to expand this to carbon NMR as well.

OLCC Project 2: Integration of a Spectral Viewer in an Open Source ELN

Abstract: Open Source Electronic Laboratory Notebooks (ELNs) have been around for several years and many of these are now specialized for a particular branch of science. Chemistry based ELNs are often challenged with an additional need to store various types of data files and the associated metadata specific to a type of lab instrument. These formats often contain spectral information, resulting in the further need to have graphical based viewing within the ELN. Traditionally, this would be performed by uploading the spectrum in the form of exported images and screenshots which is only a static graphical representation of the raw data. The purpose of this project is to embed a browser based spectral viewer into the ELN that will read the raw data values and output a form that allows for user interaction while preserving the original data.



Join the conversation.

Comments 4

Alex Williams (not verified) | Sun, 10/11/2015 - 13:33
To All, I have posted my project on the project list section of the form. You can find my specific project here. <a href=""></a> -Alex Williams

Bob Belford's picture
Bob Belford | Tue, 10/13/2015 - 10:04
Hi All, We have created a page where mentors can propose projects students can join. It is the top link of the student projects. If students decide to work with any mentor, we will create a student project page for that project. Herman Bergwerf of MolView and Otis Rothenberger of CheMagic have posted to projects students could potentially work on. The mentor's emails are included when they describe their projects, but students need to remember to clear all projects with their facilitators. Cheers, Bob

olccstu (not verified) | Mon, 10/19/2015 - 16:09
Students (and potential mentors), If you need a project (or have an idea you are willing to work with students on), please go to this page, <a href=""></a> and subscribe to it. We need to submit our projects to the ACS symposium this week! (Monday at the latest). Cheers, Bob

Brandon Davis (not verified) | Thu, 10/22/2015 - 19:59
For my class project, I'm looking for a database with specific solubility data. Does anyone have know of any potential databases?