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Department of Bioinformatics - BiGCaT 1 The Web – What is the Issue? Egon Willighagen (@egonwillighagen) 21 Oct 2014, What's in a Name, Burlington House, London, UK

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Page 1: The Web – What is the Issue? - Royal Society of Chemistry€¦ · Department of Bioinformatics - BiGCaT 1 The Web – What is the Issue? Egon Willighagen (@egonwillighagen) 21 Oct

Department of Bioinformatics - BiGCaT 1

The Web – What is the Issue?

Egon Willighagen (@egonwillighagen)

21 Oct 2014, What's in a Name, Burlington House, London, UK

Page 2: The Web – What is the Issue? - Royal Society of Chemistry€¦ · Department of Bioinformatics - BiGCaT 1 The Web – What is the Issue? Egon Willighagen (@egonwillighagen) 21 Oct

Department of Bioinformatics - BiGCaT 2

Web → <html></html>

• World Wide Web– hyperlinked web pages

• Web Browser• Nowadays:

– dynamically created– Interactive

• Is there an issue?

Page 3: The Web – What is the Issue? - Royal Society of Chemistry€¦ · Department of Bioinformatics - BiGCaT 1 The Web – What is the Issue? Egon Willighagen (@egonwillighagen) 21 Oct

Department of Bioinformatics - BiGCaT 3

Data in HTML

Page 4: The Web – What is the Issue? - Royal Society of Chemistry€¦ · Department of Bioinformatics - BiGCaT 1 The Web – What is the Issue? Egon Willighagen (@egonwillighagen) 21 Oct

Department of Bioinformatics - BiGCaT 4

What is HTML?

• Aimed at human– “Hypertext”– later applets, flash, javascript, HTML5's canvas

• Terminology– title, paragraph, link, list, …

• Visualization– bold, italic, …

• CSS: separate content from looks

Page 5: The Web – What is the Issue? - Royal Society of Chemistry€¦ · Department of Bioinformatics - BiGCaT 1 The Web – What is the Issue? Egon Willighagen (@egonwillighagen) 21 Oct

Department of Bioinformatics - BiGCaT 5

Page 6: The Web – What is the Issue? - Royal Society of Chemistry€¦ · Department of Bioinformatics - BiGCaT 1 The Web – What is the Issue? Egon Willighagen (@egonwillighagen) 21 Oct

Department of Bioinformatics - BiGCaT 6

Where are the semantics?

Page 7: The Web – What is the Issue? - Royal Society of Chemistry€¦ · Department of Bioinformatics - BiGCaT 1 The Web – What is the Issue? Egon Willighagen (@egonwillighagen) 21 Oct

Department of Bioinformatics - BiGCaT 7

Where are the semantics?

<p lang=”nl”>Mama, die, die, die...</p>

Page 8: The Web – What is the Issue? - Royal Society of Chemistry€¦ · Department of Bioinformatics - BiGCaT 1 The Web – What is the Issue? Egon Willighagen (@egonwillighagen) 21 Oct

Department of Bioinformatics - BiGCaT 8

Solution #1: <head> + mime types

<head><link rel="alternate" type="application/rss+xml" title="RSS" href="http://some.website.org/rss/" />

</head>

Page 9: The Web – What is the Issue? - Royal Society of Chemistry€¦ · Department of Bioinformatics - BiGCaT 1 The Web – What is the Issue? Egon Willighagen (@egonwillighagen) 21 Oct

Department of Bioinformatics - BiGCaT 9

Murray-Rust, P., Rzepa, H.S., Williamson, M.J. & Willighagen, E.L. Chemical markup, XML, and the world wide web. 5. applications of chemical metadata in RSS aggregators. J Chem Inf Comput Sci 44, 462-469 (2004)

Page 10: The Web – What is the Issue? - Royal Society of Chemistry€¦ · Department of Bioinformatics - BiGCaT 1 The Web – What is the Issue? Egon Willighagen (@egonwillighagen) 21 Oct

Department of Bioinformatics - BiGCaT 10

Solution #1: <head> + mime types

• <head><link rel="meta" type="application/rdf+xml" href="meta.rdf"/>

</head>

• Any format. Yes, also JSON.• Any Chemical MIME type!

H. S. Rzepa, P. Murray-Rust and B. J. Whitaker, J. Chem. Inf. Comp. Sci., 1998, 38, 976-982.

Page 11: The Web – What is the Issue? - Royal Society of Chemistry€¦ · Department of Bioinformatics - BiGCaT 1 The Web – What is the Issue? Egon Willighagen (@egonwillighagen) 21 Oct

Department of Bioinformatics - BiGCaT 11

Also JavaScript Object Notation (JSON)

Page 12: The Web – What is the Issue? - Royal Society of Chemistry€¦ · Department of Bioinformatics - BiGCaT 1 The Web – What is the Issue? Egon Willighagen (@egonwillighagen) 21 Oct

Department of Bioinformatics - BiGCaT 12

Solution #2: microformats

Page 13: The Web – What is the Issue? - Royal Society of Chemistry€¦ · Department of Bioinformatics - BiGCaT 1 The Web – What is the Issue? Egon Willighagen (@egonwillighagen) 21 Oct

Department of Bioinformatics - BiGCaT 13

Solution #2: microformats

<html xmlns="http://www.w3.org/1999/xhtml"

xmlns:chem="http://www.blueobelisk.org/chemistryblogs/">

<head>

<title>m1</title>

<script type="text/javascript" src="sechemtic.js" /></head>

<body onload="addGoogleAndPubChemLinks(1,1)"> <h1>The Output</h1>

<p>This article is about <span class="chem:compound">m1</span>

(SMILES:<span class="chem:smiles">CCCOC</span>).</p>

</body>

</html>

Willighagen, E. et al. Userscripts for the life sciences. BMC Bioinformatics 8, 487+ (2007)

Page 14: The Web – What is the Issue? - Royal Society of Chemistry€¦ · Department of Bioinformatics - BiGCaT 1 The Web – What is the Issue? Egon Willighagen (@egonwillighagen) 21 Oct

Department of Bioinformatics - BiGCaT 14

Solution #3: schema.org

Page 15: The Web – What is the Issue? - Royal Society of Chemistry€¦ · Department of Bioinformatics - BiGCaT 1 The Web – What is the Issue? Egon Willighagen (@egonwillighagen) 21 Oct

Department of Bioinformatics - BiGCaT 15

Solution #4: HTML+RDFa

Page 16: The Web – What is the Issue? - Royal Society of Chemistry€¦ · Department of Bioinformatics - BiGCaT 1 The Web – What is the Issue? Egon Willighagen (@egonwillighagen) 21 Oct

Department of Bioinformatics - BiGCaT 16

Solution #4: HTML+RDFa

Page 17: The Web – What is the Issue? - Royal Society of Chemistry€¦ · Department of Bioinformatics - BiGCaT 1 The Web – What is the Issue? Egon Willighagen (@egonwillighagen) 21 Oct

Department of Bioinformatics - BiGCaT 17

Orion Jankowski, SPARQL to Chart, 2010http://www.pharmash.com/posts/2010-09-27-sparql-to-chart.html

Page 18: The Web – What is the Issue? - Royal Society of Chemistry€¦ · Department of Bioinformatics - BiGCaT 1 The Web – What is the Issue? Egon Willighagen (@egonwillighagen) 21 Oct

Department of Bioinformatics - BiGCaT 18

Solution #5: Semantic MediaWiki

Page 19: The Web – What is the Issue? - Royal Society of Chemistry€¦ · Department of Bioinformatics - BiGCaT 1 The Web – What is the Issue? Egon Willighagen (@egonwillighagen) 21 Oct

Department of Bioinformatics - BiGCaT 19

Solution #6: RDF/XML + XSLT

Page 20: The Web – What is the Issue? - Royal Society of Chemistry€¦ · Department of Bioinformatics - BiGCaT 1 The Web – What is the Issue? Egon Willighagen (@egonwillighagen) 21 Oct

Department of Bioinformatics - BiGCaT 20

More about the Semantic Web

Page 21: The Web – What is the Issue? - Royal Society of Chemistry€¦ · Department of Bioinformatics - BiGCaT 1 The Web – What is the Issue? Egon Willighagen (@egonwillighagen) 21 Oct

Department of Bioinformatics - BiGCaT 21

The Web – What is the issue?

We're not using these innovative solutions enough.

Page 22: The Web – What is the Issue? - Royal Society of Chemistry€¦ · Department of Bioinformatics - BiGCaT 1 The Web – What is the Issue? Egon Willighagen (@egonwillighagen) 21 Oct

Department of Bioinformatics - BiGCaT 22

Acknowledgments

• People whom I worked with on solutions– H. Rzepa, P. Murray-Rust, P. Maas, N. Jeliazkova,

N. O'Boyle, R. Guha, C. Steinbeck, D. Wild, ...

• Projects that allow(ed) me to continue adoption of these methods– Open PHACTS (IMI-funded)– eNanoMapper (EC-funded)

• WikiPedia contributors (for images)