Hi, Chris,
? ? Thank you very much for the suggestion. But I tend to tell my fellows to
use?Lipinski' HBA in PP :).
? ? (BTW,?http://www.macinchem.org?is pretty good. I like the website and
thanks for the "advertisement")
Cheers,
Hongbin Yang?
?From:?Chris SwainDate:?2017-06-21?14:08To
Hi,
Many applications have multiple definitions of HBA/D from simple heteroatom
counts to sophisticated SMARTS definitions, as long as they are documented and
referenced I’d vote for keeping all definitions. It certainly helps if you want
to go back and try to repeat published work.
Cheers,
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