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