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The purpose of the `compound` table:
1) contain a unique entry for one compound
2) allow to group e.g. multiple MS2 spectra to a single entity.
The question however is how to define a compound. W…
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Hi everyone,
Our group at the Department of Informatics at King's College London - under Dr. Sophia Tsoka @sophiatsoka - have been revisiting this modelling challenge and we have some questions ab…
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The following compounds have been sent off for potency evaluation, and results will be updated when we get them back.
MMV Number | SMILES | InChI | InChI Key
-- | -- | -- | --
MMV1803…
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The current state is that endpoints such as molecules, calculations will return all elements in the database which will not scale, or they can search on name, inchi etc. Our search capabilities are al…
cryos updated
5 years ago
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Make a tool which downloads pathways from https://pathbank.org/downloads, filters out the pathways which don't include any compound from our database (reduced PubChem) and produce pathway-compound pai…
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Today 10 compounds were shipped to University of North Carolina for kinase screening. In particular were picked couples of 5- and 8-isomers to see any complementary biological activity. As well few ac…
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The third batch for the year has just been sent out to Dundee for screening against _P. falciparum_. This is the largest set we've sent this year and it contains a number of key compounds.
UPDATE 6…
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Results are at bottom of thread!
* Control compounds : **MMV897698** as the reference compound ([#572](https://github.com/OpenSourceMalaria/OSM_To_Do_List/issues/572)); MMV663915 resynthesis by S…
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## FEATURE DESCRIPTION
### Feature Inspiration
HMDB is a very useful database of human metabolites, however, researchers sometimes measure or infuse compounds that are not considered naturally…
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## Update 25/7/18: Second run data has been received - [link](https://github.com/OpenSourceMalaria/Series4/issues/56)
OSM group in Sydney decided that there is no better way to celebrate Malaria da…