Moderator: Egon Willighagen
Egon Willighagen ♦ 5.2k
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- Maastricht
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- http://egonw.github.com/
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- Last seen:
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- Joined:
- 9 years, 11 months ago
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Post-doc working on Open Data, Open Source, and Open Standards in cheminformatics, chemometrics and bioinformatics. Projects I work on include the CDK, Bioclipse, the Blue Obelisk Data Repository, and much more…
See also my Linked profile.
Posts by Egon Willighagen
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... Link to vacancy page will be added tomorrow. ...
written 29 days ago by
Egon Willighagen ♦ 5.2k
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Job:
Junior researcher or post-doctoral researcher for the Food Nutrition Security Cloud, Maastricht/NL
... The research position is part of the European FNS (Food Nutrition Security)-Cloud project. FNS-Cloud (http://www.fns-cloud.eu/) will overcome fragmentation problems by integrating existing FNS data, which is essential for high-end, pan-European FNS research, addressing FNS, diet, health, and consume ...
written 29 days ago by
Egon Willighagen ♦ 5.2k
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... Since you mention metabolomics, you can also have a look at this recent paper: https://www.mdpi.com/2218-1989/9/10/200 ...
written 8 weeks ago by
Egon Willighagen ♦ 5.2k
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... Nanotechnologies are increasing our ability to improve our quality of life. Whether is it innovative medicine, ingredients in new beneficial products, or reducing the cost of smartphones, nanomaterials have found their way into our society. However, like any chemical of natural or synthetic source, ...
written 12 weeks ago by
Egon Willighagen ♦ 5.2k
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... The position is open again, and the new link is: https://www.academictransfer.com/en/50675/phd-candidate-for-the-nanocommons-project-fhmlnutrim-department-of-bioinformatics/ ...
written 16 months ago by
Egon Willighagen ♦ 5.2k
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... Nanotechnologies is increasing our ability to improve our quality of life. Whether is it innovative medicine, ingredients in new beneficial products, or reducing the cost of smartphones, nanomaterials have found their way into our society. However, like any chemical of natural or synthetic source, s ...
written 19 months ago by
Egon Willighagen ♦ 5.2k
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... Super! I added it to a collection of coverage over on Lanyrd: http://lanyrd.com/2017/ismbeccb/ ...
written 2.6 years ago by
Egon Willighagen ♦ 5.2k
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... The [Wikidata][1] chemistry community is adding more and more physchem properties for, now, something like 170 thousand compounds. Furthermore, it has many links out to other databases. The SQID interface provides a nice GUI, e.g. for [acetic acid][2]. Importantly, Wikidata has a strong reference sy ...
written 2.6 years ago by
Egon Willighagen ♦ 5.2k
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... Can you please extend your answer with the physchem properties this resource provides? ...
written 2.6 years ago by
Egon Willighagen ♦ 5.2k
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... SMIRKS have been [proposed][1] and you can have a look at [this CDK-based code][2]. Keep in mind that some compounds cannot be neutralized without introducing salt counter-ions, such as is the case with R[N(CH3)3]+ groups.
[1]: https://sourceforge.net/p/cdk/mailman/message/35673060/
[2]: https: ...
written 3.0 years ago by
Egon Willighagen ♦ 5.2k
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