| 'Search ChEMBL Database' function [message #376] |
Mon, 27 August 2018 21:46  |
kerryfowler
Messages: 1
Registered: July 2014
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Junior Member |
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DataWarrior is the tool I've wanted for decades, so thanks to all the developers!
In version 4.7.2 the "Search ChEMBL Database..." function works for
similar structure to (sometimes)
equal structure to
stereo isomers of
tautomers of
but not for "superstructures of" which returns the message "Error in task 'Search ChEMBL Database': Your query did not retrieve any records."
The similarity search sometimes returns an error until the similarity threshold is lowered. For example, similarity search for dopamine as query fails until similarity is decreased from 90% to %89. Substructure query fails for dopamine.
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