December 1, 2018Open Access

A probabilistic molecular fingerprint for big data settings

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Resumen

MHFP6 is a new molecular fingerprint, encoding circular substructures, which outperforms ECFP4 for analog searches while allowing the direct application of locality sensitive hashing algorithms. It should be well suited for the analysis of large databases. The source code for MHFP6 is available on GitHub ( https://github.com/reymond-group/mhfp ).

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Cite This Study

Probst et al. (Sat,) studied this question.

synapsesocial.com/papers/69d737603f2a6ac123b8a7d9 https://doi.org/https://doi.org/10.1186/s13321-018-0321-8

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