Susanne Sauer, Hans Matter, Gerhard Hessler, Christoph Grebner. Integrating Reaction Schemes, Reagent Databases, and Virtual Libraries into Fragment-Based Design by Reinforcement Learning. Journal of Chemical Information and Computer Sciences, 63(18):5709-5726, September 2023. [doi]
@article{SauerMHG23,
title = {Integrating Reaction Schemes, Reagent Databases, and Virtual Libraries into Fragment-Based Design by Reinforcement Learning},
author = {Susanne Sauer and Hans Matter and Gerhard Hessler and Christoph Grebner},
year = {2023},
month = {September},
doi = {10.1021/acs.jcim.3c00735},
url = {https://doi.org/10.1021/acs.jcim.3c00735},
researchr = {https://researchr.org/publication/SauerMHG23},
cites = {0},
citedby = {0},
journal = {Journal of Chemical Information and Computer Sciences},
volume = {63},
number = {18},
pages = {5709-5726},
}