@article{MuellerHaggStrickstrocketal.2023,
  author    = {Max M{\"u}ller and Alexander Hagg and Robin Strickstrock and Marco H{\"u}lsmann and Alexander Asteroth and Karl N. Kirschner and Dirk Reith},
  title     = {Determining Lennard-Jones Parameters Using Multiscale Target Data through Presampling-Enhanced, Surrogate-Assisted Global Optimization},
  series   = {Journal of Chemical Information and Modeling},
  volume    = {63},
  number    = {7},
  publisher = {American Chemical Society (ACS)},
  issn      = {1549-9596},
  doi       = {10.1021/acs.jcim.2c01231},
  pages     = {1872 -- 1881},
  year      = {2023},
  language  = {en}
}