Sentence examples for maximum bond radius from inspiring English sources
Circular fingerprints are also hashed fingerprints which encode circular atom environments up to a maximum bond radius from the central atom rather than looking for paths through a chemical graph.
The maximum bond length radius is appended to the end of the name: thus the ECFP6 fingerprint is an extended-connectivity fingerprint with a diameter of 6 bonds.
The other maxima of the atomic distribution function W(r) curve indicated the Pauling single bond radius for Cu and Goldschmidt radius for Al (rAl = 2.86/2 Å); they each formed a tetrahedron which linked together to form two types of non-crystalline icosahedral cluster which were joined together to form a pentagonal chains with chemical ordering.
Normalized maximum bond length.
Only the substructures with a bond radius within the set of bond radii specified by the user will be considered.
This model is based on three parameters: maximum bond stress, slip at maximum bond stress, and maximum slip.
In this case the single bond radius was derived from the crystalline structure of diamond.
This bond radius agreed with c c distances in other compounds that were supposedly crystalline substances.
The penetration is defined as the nonbonded radius minus bonded radius [58].
All the descriptors were calculated for 7 spheres (the maximum sphere radius is 6 bonds).
