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PAINS patterns [message #2382] Thu, 23 January 2025 15:58 Go to previous message
benderitter.p is currently offline  benderitter.p
Messages: 1
Registered: January 2025
Junior Member
Dear all,

would there be anywhere the list of SMILES / SD file considered in the assessment of PAINS patterns (in compound properties calculations)?
I checked the documentation, website and forum, but was not able to find it.

Best regards
 
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