Discussion

Damon Ridley's picture
Damon Ridley | Wed, 01/25/2017 - 01:27

Chris,

I tried to reply to your message last night (currently I am in Germany), but my reply did not go through the system.

Nevermind, since I see Anja (my colleague) has replied. A couple of extra notes:

1. Structures are precise entities, and provided you build the structure (and choose the right search options to meet your needs- the options are in the panel on the right of the structure drawing screen) you should get "robust" results (meaning very good precision and comprehension in answers).

2. Text data you search comes from authors in titles and abstracts (and authors do not enter terms systematically), and indexers in Index Terms (these are systematic terms). There clearly are a lot of variables here, and this mainly explains why text searches are not so "robust or precise".

3. Skilled searchers (e.g., information professionals) place a lot of importance on indexing, which can be found mainly in two ways: a. doing a search and looking for index terms in answers; b. consulting an index term list.

3a. This is exactly what Anja did and what she explained in her post; you get the index terms (in Substance Records) immediately in this case.
3b. Later on in the "properties module" we see how to find the index terms (Query builder => Electrochemical characteristics => click the Lookup icon in the Description Field).

I hope this helps.

Damon

Anja Brunner | Tue, 01/24/2017 - 15:50

Hello Chris,

Did you try doing the search by entering cyclovoltammetry of tetraphenyilporphyrin into the Search Reaxys box of Quick Search (the main landing page of Reaxys)? Reaxys recognizes cyclovoltammetry as a property and will pull Records of relevant Substances that contain cyclovoltammetry information. This will be the first hit set listed by Reaxys. Each record will show the Hit Data, which you can explore by expanding it. Look at the Hit Data in the first record. You will see that Cyclovoltammetry is one of the indexed terms in the Description subfield of the Property Field Electrochemical Characteristics. I suspect that when you say that you did a property search on voltammetry, you searched that term under the fields available in Query builder. Is that right? Try looking for Electrochemical. The field Electrochemical Characteristics will be one of the Properties you can select and drag into the Query builder workspace. There, select show fields and click on the Lookup icon of Description. Cyclovoltammetry is one of the terms you can search.

I hope that helps! Otherwise, please keep asking questions.
Anja

OLCC S50 | Tue, 01/24/2017 - 11:32

I have been going through the examples this morning on page 3 of the handout on property searches. I have found that text searches for name are not as robust or precise as structure searches. The only one that I initally had trouble with is "What can you find on the cyclovotammetry of tetraphenylporphyrin?" I tried to do a property search on voltammetry but that doesn't seem to be an indexed property. Next, I just did a document search, and limited it to abstracts contain voltammetry. This appeared to give me some useful data. Is there a better/more efficient way to do this search? Has anyone else had success with this search in a different way?
Thank you,
Chris

Damon Ridley's picture
Damon Ridley | Mon, 01/23/2017 - 04:27

Vince,

Great questions and thanks for posting them!

To answer your last question first, perhaps you can have a look at DOI: 10.1021/acs.jchemed.5b00601 which is a relatively recent article on the topic you raise. After I saw this publication Neelam and I had a number of discussions on the content of the paper and my quick summary is that she and her colleagues did a great job although there were a few things in some of the text that I worried about.

Can I compare the two? Well, yes, although I have not been involved with SciFinder since early 2013 and while I have kept up to date with news about SciFinder on various websites, I have not used it for almost 4 years. Nevertheless, my understanding is that the principles outlined in my last SciFinder book are still mostly valid. [Information Retrieval: SciFinder, 2nd Edition, Damon Ridley, ISBN: 978-0-470-71247-4.]

When would we want to use Reaxys, when would we want to use SciFinder? My first comment is that chemists and chemistry (very broadly defined, meaning going beyond traditional chemistry into fields such as biomedical, materials, environmental sciences and so forth) are extremely lucky to have two excellent information resources to tap into and in my opinion all universities with major science programs should have both. However, I know that funding and available time (to look through multiple systems) both are in short supply, so indeed scholars have to consider at one time or the other, which to use and when.

My second comment is that the products are continually being upgraded, not only in content but also in search, display and post-processing functionality. One consequence of continual upgrades is that any comparison needs to be kept up to date, and here I add that Reaxys made huge changes during 2013 and 2014 so any review of Reaxys before the end of 2014 is essentially not valid and in my opinion should be dismissed. Further, Reaxys introduced a super new interface in October 2016, and SciFinder has announced its new interface will be available soon.

In your comment you suggest both products seem “to be very similar”, and in the sense that both have document, substance and reaction records you are correct. Indeed it is the combination of these three types of records that clearly stand Reaxys and SciFinder apart from everything else (including web search interfaces such as Google/Google Scholar). However, there are substantial differences in the content, the organization, and the structure of data, and if you work through the document posted in the Reaxys Module in your course: Reaxys_PropertiesSearch_170117.docx, you see one major example.

To discuss such differences in more detail, however, is beyond the scope of any reply to a general question relating to comparison of the two products, but if you or others involved in the course would like further details, about specific areas, then please enter them in separate and new comments - and do it as quickly as possible since that will give us time not only for a more comprehensive discussion, but also to allow Anja and me to (possibly) create new teaching Reaxys Modules or even some (research-based) Special Projects for your course.

Damon

OLCC S13 | Sun, 01/22/2017 - 09:51

I had never heard of Reaxys until I started this class. Our library does have SciFinder Scholar, which seems to be very similar, and I was wondering if you could compare the two. When would we want to use Reaxys, when would we want to use SciFinder? Is there a good article comparing the two?

Thanks,
Vince

OLCC S18 | Thu, 01/19/2017 - 05:30

Greetings to OLCC Spring 2017!

I'm very much looking forward to learning more about cheminfomatics. The polish and ease of use of the reaxys tool was impressive! Uploading my export for assignment one....

Damon Ridley's picture
Damon Ridley | Wed, 01/18/2017 - 10:08

I have just "joined" your class and I look forward to discussing Chemical Information Retrieval with you. I became interested in the topic as a young academic at The University of Sydney (Organic Chemistry Department) in 1983 - interested because I could see electronic information retrieval was the way for the future, and because I could see the intellectual challenges. After consulting with the Chemical Abstracts Service for almost 30 years, I now am a consultant for Elsevier Reaxys. I look forward to working with you all. That's enough from me now. I hope to get your feedback/questions on some of the modules soon.

Robert Belford's picture
Robert Belford | Mon, 01/09/2017 - 12:20

this is the first test comment. I used "Add new comment"

Herman Bergwerf | Fri, 09/02/2016 - 09:07
Do you think it might be a good idea to use a standard API for AJAX? JS has Fetch now (<a href="https://davidwalsh.name/fetch">https://davidwalsh.name/fetch</a>) and apart from being a standard, it also uses a modern and very useful JS feature called Promises (this is for asynchronous programming). I'm not perse against jQuery, but it's considered a slightly outdated by new JS and DOM standards, and it's usually a bad programming practice to include jQuery in your project only for basic utilities like AJAX.

Bob Hanson's picture
Bob Hanson | Fri, 09/02/2016 - 08:24
- https:// for all US government sites and also ChemSpider - describe use of jQuery $.ajax() to simplify JSON return and introduce asynchronous JavaScript calling