TY - JOUR
AU - Kier, Lemont B.
AB - An index encoding the structural attribute known as flexibility has been devised based upon the chemical graph. The flexibility definition is based upon the role of molecular size, branching, cycles and heteroatom content. The calculation of the index, phi, uses information from the kappa indexes to encode these contributions. The flexibility index is made equal to the product of kappa‐one and kappa‐two, normalized to the number of atoms in the graph. Examples reveal the structure‐activity potential for the index.
TI - An Index of Molecular Flexibility from Kappa Shape Attributes
JO - Quantitative Structure-Activity Relationships
DO - 10.1002/qsar.19890080307
DA - 1989-01-01
UR - https://www.deepdyve.com/lp/wiley/an-index-of-molecular-flexibility-from-kappa-shape-attributes-NSKasKRTrO
SP - 221
EP - 224
VL - 8
IS - 3
DP - DeepDyve
ER -