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Updated one more link to Rich' blog and tagged some as to keep
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_posts/2008-12-05-cheminformatics-benchmark-project-1.markdown

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layout: post
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title: "Cheminformatics Benchmark Project #1"
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date: 2008-12-05
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modified_date: 2025-12-19
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blogger-link: https://chem-bla-ics.blogspot.com/2008/12/cheminformatics-benchmark-project-1.html
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doi: 10.59350/wngzb-y3329
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tags: cheminf cdk
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modified_date: 2025-10-11
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tags: cheminf cdk justdoi:10.59350/1ph8m-fj607
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---
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Yesterday's blog about [Who says Java is not fast?!? <i class="fa-solid fa-recycle fa-xs"></i>](https://chem-bla-ics.linkedchemistry.info/2008/12/04/who-says-java-is-not-fast.html)
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caused quite some feedback (thanx to all commenters!) with several good points. Of course, a table like that in the cinfony paper
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(see also the comments in the blogs by [Noel](http://baoilleach.blogspot.com/2008/12/cinfony-paper-published-in-chemistry.html)
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(the author) and [Rich](http://depth-first.com/articles/2008/12/04/choose-java-for-speed)). Many things determine why the CDK
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(the author) and [Rich <i class="fa-solid fa-recycle fa-xs"></i>](https://doi.org/10.59350/1ph8m-fj607)). Many things determine why the CDK
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might be fastest in that table for SDF iterating. Suggestions have been that OpenBabel and RDKit may be doing much more than simple reading; Java might actually take advantage of the second core for caching file content.
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[ZZ](http://www.simbiosys.ca/blog/) observed something I overlooked: calculating the molecular mass in CDK is by far slowest

_posts/2009-02-25-rdf-for-chemistry.markdown

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date: 2009-02-25
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blogger-link: https://chem-bla-ics.blogspot.com/2009/02/rdf-for-chemistry.html
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doi: 10.59350/vsb09-mjr40
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tags: google chemistry rdf semweb
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tags: google chemistry rdf semweb justdoi:10.59350/a2w3n-cvb94
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image: /assets/images/sechemticCSHALS.png
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modified_date: 2025-11-29
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modified_date: 2025-12-29
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---
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[C-SHALS 2009](http://www.iscb.org/cms_addon/conferences/cshals2009/io-informatics-news.php) (*Conference on Semantics in Healthcare and Life Sciences*)
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has just started, and has coverage in a [blog](http://cshals.blogspot.com/) and in a [FriendFeed room](http://friendfeed.com/rooms/cshals-2009). It
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nicely coincides with Rich' blog on [What the Heck is the Semantic Web?](http://depth-first.com/articles/2009/02/25/what-the-heck-is-the-semantic-web),
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nicely coincides with Rich' blog on [What the Heck is the Semantic Web? <i class="fa-solid fa-recycle fa-xs"></i>](https://doi.org/10.59350/a2w3n-cvb94),
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and the RDF work I have recently done on [rdf.openmolecules.net <i class="fa-solid fa-recycle fa-xs"></i>](https://chem-bla-ics.linkedchemistry.info/2009/02/17/dbpedia-enters-rdfopenmoleculesnet.html)
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and [Bioclipse <i class="fa-solid fa-recycle fa-xs"></i>](https://chem-bla-ics.linkedchemistry.info/2009/02/22/solubility-data-in-bioclipse-2-handling.html). (Oh, do I wish I could have attended that
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conference.)

_posts/2024-12-08-rich-l-apodaca.markdown

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<img src="/assets/images/depth_first.png" style="width: 40%; display: block; margin-left: auto; margin-right: auto; float: right"
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alt="Screenshot of the first Depth-First blog post" />
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If you are into openscience chemistry or chemistry blogging, then you probably heard of
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[Rich Apodaca](https://orcid.org/0000-0003-3855-9427)'s [Depth-First blog](https://depth-first.com/).
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[Rich Apodaca](https://orcid.org/0000-0003-3855-9427)'s [Depth-First blog](https://depth-first.com/). <!-- keep link -->
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Rich [started blogging in 2006 <i class="fa-solid fa-recycle fa-xs"></i>](https://doi.org/10.59350/xyp0f-9dt42) but this is not
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how I discovered his work originally. I know that we at least already had contact in 2005,
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because that is when he wrote about an integration between his Octet library and the Chemistry Development Kit
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in the [CDK News](https://sourceforge.net/projects/cdk/files/CDK%20News/) (volume 2, issue 2),
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*CDKTools: The CDK-Octet Bridge*. In 2006 he [reviewed our use of the Open Journal System for CDK News <i class="fa-solid fa-recycle fa-xs"></i>](https://doi.org/10.59350/esgte-mv539).
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But I did find we have been blogging about our work a lot. [Searching for Rich](https://www.google.com/search?q=site%3Achem-bla-ics.blogspot.com+rich)
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gives false positives, but plenty of discussions of his work. At the same time, [my name shows up multiple times](https://www.google.com/search?q=site:depth-first.com+egon)
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gives false positives, but plenty of discussions of his work. At the same time, [my name shows up multiple times](https://www.google.com/search?q=site:depth-first.com+egon) <!-- keep link -->
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in Depth-First too. Looking back at our shared history, we find, for example, Rich has blogged a lot about using the
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[Chemistry Development Kit in Ruby <i class="fa-solid fa-recycle fa-xs"></i>](https://doi.org/10.59350/50ebs-4zq55).
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Rich [blogged about a lot of cheminformatics innovation](https://depth-first.com/articles/). For example,
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Rich [blogged about a lot of cheminformatics innovation](https://depth-first.com/articles/). For example, <!-- keep link -->
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in 2006 [he was working on multi-atom bonding <i class="fa-solid fa-recycle fa-xs"></i>](https://doi.org/10.59350/pz3p6-fv247),
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such as in ferrocene, something that is even today not routinely used in cheminformatics. I replied
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to that in [this post](https://chem-bla-ics.linkedchemistry.info/2006/12/30/modern-chemistry-in-cdk-beyond-two.html).
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His latest work was about *Balsa: A Compact Line Notation Based on SMILES*
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(see doi:[10.26434/chemrxiv-2022-01ltp](https://doi.org/10.26434/chemrxiv-2022-01ltp)).
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The [Depth-First blog](https://depth-first.com/) has a CC-BY 2.0 license and perhaps [Rogue Scholar](https://rogue-scholar.org/)
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The [Depth-First blog](https://depth-first.com/) has a CC-BY 2.0 license and perhaps [Rogue Scholar](https://rogue-scholar.org/) <!-- keep link -->
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can archive it? It helps us remember Rich and his contributions to open science cheminformatics.

_posts/2024-12-30-fair-blog-to-blog-citations.markdown

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@@ -49,14 +49,14 @@ So, when [Martin Fenner](https://blog.front-matter.io/author/martin/) and
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[I](https://chem-bla-ics.linkedchemistry.info/2024/12/08/rich-l-apodaca.html)
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[started](https://chem-bla-ics.linkedchemistry.info/2024/12/27/archiving_blogs.html)
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[archiving](https://doi.org/10.53731/3c6pm-xbp04)
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the [Depth-First blog of Rich Apodaca](https://depth-first.com/) to digitally preserve his blog,
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the [Depth-First blog of Rich Apodaca](https://depth-first.com/) to digitally preserve his blog, <!-- keep link -->
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it also automatically gave the blog posts DOIs. This makes the blog more FAIR, just like it does
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for my blog. And being more FAIR, we can use the DOIs for other things too, like blog to blog
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citations with CiTO intent annotation, as nanopublications.
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(Technically, any Springer Nature journal can do this, but they found reasons to not do it.)
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So, let's take [this blog post](https://chem-bla-ics.linkedchemistry.info/2024/12/08/rich-l-apodaca.html).
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I have today updated this to not use `depth-first.com` URLs but, following Martin's example, use the DOIs
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I have today updated this to not use `depth-first.com` URLs but, following Martin's example, use the DOIs <!-- keep link -->
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for those posts instead.
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And when I make a nanopublication out of this, I can add the citation intent, and then it looks like

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