SuperDrug: a conformational drug database

  title={SuperDrug: a conformational drug database},
  author={Andrean Goede and Mathias Dunkel and Nina Mester and Cornelius Fr{\"o}mmel and Robert Preissner},
  volume={21 9},
MOTIVATION Different resources exist for experimentally determined and computed three-dimensional (3D)-structures of low molecular weight structures but for approved drugs, no free, publicly accessible source of 3D-structures and conformers is available. Furthermore, for selection purposes or for correlation of structural similarity with medical application, the assignment of the Anatomical Therapeutic Chemical (ATC) classification codes to each structure according to the WHO-scheme would be… CONTINUE READING