{ "version": "https://jsonfeed.org/version/1.1", "title": "chem-bla-ics", "description": "Chemblaics (pronounced chem-bla-ics) is the science that uses open science and computers to solve problems in chemistry, biochemistry and related fields.", "home_page_url": "https://chem-bla-ics.linkedchemistry.info/", "feed_url": "https://chem-bla-ics.linkedchemistry.info/2010/02/05/uu-cheminformatics-journal-club.json", "icon": "https://chem-bla-ics.linkedchemistry.info/assets/images/chem-bla-ics_logo.png", "language": "en", "authors": [ { "name": "Egon Willighagen", "url": "https://orcid.org/0000-0001-7542-0286", "_orcid": "0000-0001-7542-0286" } ], "items": [ { "id": "https://doi.org/10.59350/y21sw-qsn37", "url": "https://chem-bla-ics.linkedchemistry.info/2010/02/05/uu-cheminformatics-journal-club.html", "title": "UU Cheminformatics Journal Club", "content_html": "

Following the steps of the IU Cheminformatics Journal Club, I have started a\nUU Cheminformatics Journal Club:

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Hi all,\n\nafter repeated questions from various people around asking about some\neducational thingy on cheminformatics, and now that I have two\nstudents I want to educate, I am starting a cheminformatics journal\nclub, as it is nicely called... we'll discuss cheminformatics\nliterature biweekly.\n\nNo worries if you skip or meeting or so, but when you join, you *must*\nhave read the paper. Additionally, it is expected that you attempted\nto understand the paper, by looking up cited references and methods.\nThat said, you are not expected to spend a week of literature mining\non the paper (depending on the topic and your backgroun, a day or two\nat most will do); instead, you are required to form an opinion on the\npaper. Preferably, those opinions are written down before the meeting,\nto force you to actually formulate them.\n\nDuring a meeting, we'll discuss the paper then, identifying strong and\nweek points of the paper, and one of us (rotating) will make notes,\nand write up a (public, OA) review on the paper based on our\ndiscussion.\n\nEveryone is invited to join in. Please do let me know which dates you\nwill attend. Meetings are from 10-11 am.\n\n* Thu, 11/2: Towards pharmacogenomics knowledge discovery with the\n  semantic web, doi:10.1093/bib/bbn056\n* Thu, 25/2: Small Molecule Subgraph Detector (SMSD) toolkit,\n  doi:10.1186/1758-2946-1-12\n* Thu, 11/3: Virtual screening of bioassay data, doi:10.1186/1758-2946-1-21\n\nAs you see, the list is a mix of various subfields of molecular\nchemometrics: the first is around knowledge management (RDF), the\nsecond around chemical graph theory, and the last about statistics\n(Bayes, SVM, RF). This covers about the three pillars of current\ncheminformatics research.\n
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References

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Dumontier, M., & Villanueva-Rosales, N. (2009). Towards pharmacogenomics knowledge discovery with the semantic web. Briefings in Bioinformatics, 10(2), 153–163. https://doi.org/10.1093/bib/bbn056 CrossRef Scholia
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Rahman, S. A., Bashton, M., Holliday, G. L., Schrader, R., & Thornton, J. M. (2009). Small Molecule Subgraph Detector (SMSD) toolkit. Journal of Cheminformatics, 1(1). https://doi.org/10.1186/1758-2946-1-12 CrossRef Scholia
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Schierz, A. C. (2009). Virtual screening of bioassay data. Journal of Cheminformatics, 1(1). https://doi.org/10.1186/1758-2946-1-21 CrossRef Scholia
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", "summary": "Following the steps of the IU Cheminformatics Journal Club, I have started a UU Cheminformatics Journal Club:", "date_published": "2010-02-05T00:00:00+00:00", "date_modified": "2010-02-05T00:00:00+00:00", "tags": ["uppsala","cheminf"], "_references": [ { "url": "https://doi.org/10.1093/bib/bbn056", "doi": "10.1093/bib/bbn056" } , { "url": "https://doi.org/10.1186/1758-2946-1-12", "doi": "10.1186/1758-2946-1-12" } , { "url": "https://doi.org/10.1186/1758-2946-1-21", "doi": "10.1186/1758-2946-1-21" } ], "authors": [ { "name": "Egon Willighagen", "url": "https://orcid.org/0000-0001-7542-0286" } ] } ] }