From Chemical Topology to Three-Dimensional Geometry

Even high-speed supercomputers cannot easily convert traditional two-dimensional databases from chemical topology into the three-dimensional ones demanded by today's chemists, particularly those working in drug design. This fascinating volume resolves this problem by positing mathematical and t...

Πλήρης περιγραφή

Λεπτομέρειες βιβλιογραφικής εγγραφής
Συγγραφή απο Οργανισμό/Αρχή: SpringerLink (Online service)
Άλλοι συγγραφείς: Balaban, Alexandru T. (Επιμελητής έκδοσης)
Μορφή: Ηλεκτρονική πηγή Ηλ. βιβλίο
Γλώσσα:English
Έκδοση: Boston, MA : Springer US, 2002.
Σειρά:Topics in Applied Chemistry
Θέματα:
Διαθέσιμο Online:Full Text via HEAL-Link
Πίνακας περιεχομένων:
  • From Chemical Graphs to 3D Molecular Modeling
  • Descriptors of Molecular Shape in 3D
  • 3D Molecular Design
  • Use of Graph-Theoretic and Geometrical Molecular Descriptors in Structure-Activity Relationships
  • Recognition of Membrane Protein Structure from Amino Acid Sequence
  • On Characterization of 3D Molecular Structure
  • Chemical Graph Theory of Fullerenes
  • Recent Work on Toroidal and Other Exotic Fullerene Structures
  • All-Conjugated Carbon Species
  • Applications of Topology and Graph Theory in Understanding Inorganic Molecules.