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cheminfo.i.md

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<section level="#" label="cheminfo">Cheminformatics</section>
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*Note: this chapter is an evolved version of a chapter of [my PhD
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thesis](https://tools.wmflabs.org/scholia/work/Q25713029) [<cite>Q25713029</cite>]. *
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thesis](https://scholia.toolforge.org/work/Q25713029) [<cite>Q25713029</cite>]. *
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While the purpose of this book is not to educate in <topic>cheminformatics</topic> (see Chapter <xref>intro</xref>),
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this chapter provides minimal information about the representation of molecules and molecular systems.

properties.i.md

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# Molecular Properties
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Cheminformatics is about molecular properties and chemistry in general the field
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of finding chemicals with new properties. [Prof. Gasteiger](https://tools.wmflabs.org/scholia/author/Q109081)
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of finding chemicals with new properties. [Prof. Gasteiger](https://scholia.toolforge.org/author/Q109081)
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in 2006 gave a lecture at Cologne University where he expressed this view. It stuck around. We keep
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databases to store those properties, and we develop methods to predict and understand
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those properties. Prediction is important for one reason: there are too many

references.js

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append: function (entry) {
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return entry.DOI
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? ' doi:[' + entry.DOI + '](https://doi.org/' + entry.DOI + ')' +
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' ([Scholia](https://tools.wmflabs.org/scholia/doi/' + entry.DOI + "))"
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' ([Scholia](https://scholia.toolforge.org/doi/' + entry.DOI + "))"
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: '';
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}
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}))

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