Comparison of 2D similarity and 3D superposition. Application to searching a conformational drug database.
Thimm
Martin
M
Institut für Informatik, Humboldt-Universität zu Berlin, 10099 Berlin, Germany. thimm@informatik.hu-berlin.de
Goede
Andrean
A
Hougardy
Stefan
S
Preissner
Robert
R
D003628:Database Management Systems; D008968:Molecular Conformation; D004364:Pharmaceutical Preparations / Q000737:chemistry*
D004364:Pharmaceutical Preparations