It has been a long winter/spring. Last year summer I was hopeful most of the pandemic was behind us, and started with fresh energy the autumn season. Well, so did many others. Septembers are always very busy because of this, but this even more than others. In January I took some extra time of, and that worked fairly well (I came back to work a week early, because there was some more urgent work to be finished). But it also made me realize how exhausting the pandemic has been. Fast forward to April. My first travel in over two years.

The 20th birthday of the Chemistry Development Kit (CDK, doi:10.1186/s13321-017-0220-4) was what is I could have expected it to be. The code base of the CDK dates back to at least 1997 but it was formally created in South Bend in September 2000.

This fourth post is after the NWO Open Science BridgeDb Hackathon #1 (the second will be in January) this week, but I will write a separate post about that. Instead, this post is about what happened since the third post. It should have been posted online in June, but since June was filled with conferences for me, I did not get around to writing something down.

In a year where "data available upon request" is a good intention at best (doi:10.1016/j.jclinepi.2022.05.019), the need for FAIR and Open data is more than ever. It is hard to argue that the openness with SARS-CoV-2 and COVID19 data has not helped at least somewhat, though we likely do not fully understand how yet. Releasing daily statistics of infections and RNA concentrations helped us for sure decide when to close and open up our societies.
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This blog deals with chemblaics in the broader sense. Chemblaics (pronounced chem-bla-ics) is the science that uses computers to solve problems in chemistry, biochemistry and related fields. The big difference between chemblaics and areas such as chem(o)?informatics, chemometrics, computational chemistry, etc, is that chemblaics only uses open source software, open data, and open standards, making experimental results reproducible and validatable. And this is a big difference!
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