On 18/06/2019 05:41, Mario Lovrić wrote:
Dear all,
Is there any paper discussing some sort of pre-selection/feature
selection with fingerprints?
I know of this one at least:
---
Bender, A., Mussa, H. Y., Glen, R. C., & Reiling, S. (2004). Molecular
similarity searching using atom environments, information-based feature
selection, and a naive Bayesian classifier. Journal of chemical
information and computer sciences, 44(1), 170-178.
---
Not very recent, but to the point given your question.
Any rule of thumb? E.g. dont keep fingeprints if less than 5% hits?
Thanks
--
Mario Lovrić
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