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]
@article{LaufkotterSBCE19,
title = {Combining structural and bioactivity-based fingerprints improves prediction performance and scaffold hopping capability},
author = {Oliver Laufkötter and Noé Sturm and Jürgen Bajorath and Hongming Chen and Ola Engkvist},
year = {2019},
doi = {10.1186/s13321-019-0376-1},
url = {https://doi.org/10.1186/s13321-019-0376-1},
researchr = {https://researchr.org/publication/LaufkotterSBCE19},
cites = {0},
citedby = {0},
journal = {J. Cheminformatics},
volume = {11},
number = {1},
}