TY - BOOK ID - 37743260 TI - From chemical topology to three-dimensional geometry PY - 1997 SN - 1280043695 9786610043699 0306469073 0306454629 PB - New York : Kluwer Academic Publishers, DB - UniCat KW - Molecular structure KW - Geometry, Modern. KW - Mathematical models. KW - Chemistry, Organic. KW - Pharmacy. KW - Chemistry, Physical organic. KW - Organic Chemistry. KW - Physical Chemistry. KW - Organic chemistry. KW - Physical chemistry. KW - Chemistry, Theoretical KW - Physical chemistry KW - Theoretical chemistry KW - Chemistry KW - Medicine KW - Drugs KW - Materia medica KW - Pharmacology KW - Organic chemistry KW - Structure, Molecular KW - Chemical structure KW - Structural bioinformatics UR - https://www.unicat.be/uniCat?func=search&query=sysid:37743260 AB - 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 topological models which greatly expand the capabilities of chemical graph theory. The authors examine QSAR and molecular similarity studies, the relationship between the sequence of amino acids and the less familiar secondary and tertiary protein structures, and new topological methods. ER -