Combining structural and bioactivity-based fingerprints improves prediction performance and scaffold hopping capability

Oliver Laufkötter, Noé Sturm, Jürgen Bajorath, Hongming Chen, Ola Engkvist. Combining structural and bioactivity-based fingerprints improves prediction performance and scaffold hopping capability. J. Cheminformatics, 11(1), 2019. [doi]

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