Samo Turk, Benjamin Merget, Friedrich Rippmann, Simone Fulle. Coupling Matched Molecular Pairs with Machine Learning for Virtual Compound Optimization. Journal of Chemical Information and Computer Sciences, 57(12):3079-3085, December 2017. [doi]
@article{TurkMRF17,
title = {Coupling Matched Molecular Pairs with Machine Learning for Virtual Compound Optimization},
author = {Samo Turk and Benjamin Merget and Friedrich Rippmann and Simone Fulle},
year = {2017},
month = {December},
doi = {10.1021/acs.jcim.7b00298},
url = {https://doi.org/10.1021/acs.jcim.7b00298},
researchr = {https://researchr.org/publication/TurkMRF17},
cites = {0},
citedby = {0},
journal = {Journal of Chemical Information and Computer Sciences},
volume = {57},
number = {12},
pages = {3079-3085},
}