Andrew Dalke

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Name	Andrew Dalke
Member for	3 months
Seen	2 hours ago
Website
Location	Göteborg, Sweden
Age	39

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What is the CML license?

cml license openstandards

feb 16 at 8:02 Egon Willighagen♦♦ 338●1●11

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How do I get the “Chemical Classification” information from PubChem?

pubchem mesh

mar 8 at 17:12 Andrew Dalke 413●1●6

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Tanimoto(“raven”, “writing desk”)

fingerprints

feb 10 at 14:14 baoilleach♦ 311●7

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Which formats fall into “Open Data, Open Source, and Open Standards ”?

openstandards smiles cml mdl

mar 13 at 17:29 Community♦ 1●1

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What formats fall into “Open Specification”? (6)

What can we not yet do in chemistry with Open Data, Open Source, and Open Standards? (4)

How do I automate the generation of 3D images of molecules?

Proper MDL molfile atom block line format?

Should CML files have a DTD? What should it be?

What is the proper format of a SMILES (.smi) file?

How does your ODOSOS project deal with code review?

Convert SDF format to XML format

3D Co-ordinates OpenBabel, OpenEyeChem(OMEGA) differ

How do I get the “Chemical Classification” information from PubChem?

Is the Royal Society Issue Archive content Public Domain?

How to effectively buy compounds from ZINC database in Europe

Should modifiability be part of the Open Standards definition?

What Open Source cheminformatics libraries are available?

How do I validate if my MDL SD file is correct?

Get coordinates of beads covering the surface of a protein

Is Balloon a “free” equivalent for CORINA?

is it there around a similar “forum” like this but for drug design and chemoinformatics?

Fingerprint False Positive Benchmark Tool?

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