User miquelduran - Blue Obelisk eXchange

Miquel Duran-Frigola

joined about 2 years ago | seen 4 months ago

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Miquel Duran-Frigola updated

Write SMARTS strings that describe the organomettalic compounds, and use these to filter.

8 months ago 2012-09-25 10:49:51 +0000

Miquel Duran-Frigola changed

Filter out organometallic compounds using pybel?

8 months ago 2012-09-21 09:10:44 +0000

Miquel Duran-Frigola asked

Filter out organometallic compounds using pybel?

8 months ago 2012-09-21 09:10:42 +0000

Miquel Duran-Frigola changed

Would a chemoinformatician trust on STITCH protein-chemical interactions?

over 1 year ago 2011-10-20 11:12:34 +0000

Miquel Duran-Frigola asked

Would a chemoinformatician trust on STITCH protein-chemical interactions?

over 1 year ago 2011-10-20 11:12:33 +0000

Miquel Duran-Frigola changed

Tool to predict drug metabolites?

over 1 year ago 2011-11-11 08:02:07 +0000

Miquel Duran-Frigola asked

Tool to predict drug metabolites?

over 1 year ago 2011-11-11 08:02:05 +0000

Miquel Duran-Frigola changed

Molecular categories

over 1 year ago 2011-11-11 16:04:36 +0000

Miquel Duran-Frigola asked

Molecular categories

over 1 year ago 2011-11-11 16:04:36 +0000

Miquel Duran-Frigola updated

See http://baoilleach.blogspot.com/2008/03/madmol-chemistry-aware-code.html for human-readable FP4.

over 1 year ago 2011-11-16 09:50:14 +0000

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