matrix weighted by resonance integrals GGI8 topological charge index of order 8 nCconj number of non-aromatic conjugated C sp2) O-058 = O (atom-centred fragments).
matrix weighted by dipole moments DRA0551 GGI2 Topological charge index of order 2 DRA0565 JGI6 Mean topological charge index of order6 DRA0670 nRNNOx Number of N-nitroso groups (aliphatic) DRA0695 Numberumber of phosphates/thiophosphates DRA0791 N-067 Al2-NH DRA0802 N-078 Ar-N = X/X-N = X.
It is found that a sine-Gaussian beam through such a system may be converted into a dark hollow beam (DHB) with topological charge index one and its bright enclosure is approximately an elongated ellipse with very high ellipticity.
Hospital charge index is related to the nurse-to-bed ratio, and is reflected in the per diem medical expense (hospital charge index 7 1 receives a higher compensation than 10 1 as part of the basic medical fees for medical treatment and management during hospitalisation, based on a fee-for-service payment system).
Among the individual variables, age, sex and clinical risk factors were level 1 predictors, while academic status, ownership, hospital charge index, size and hospital OPCAB volume were level 2 predictors.
The structural characteristics of the hospitals included academic status (teaching or not teaching), hospital ownership (private not-for-profit or public), hospital charge index (7:1 or 10 1), size and OPCAB volume.
They include (a) constitutional descriptors (atom and group counts); (b) functional groups, atom centered fragments; (c) topological, BCUTs, walk and path counts, autocorrelations, connectivity indices, information indices, topological charge indices, and eigenvalue-based indices.
The MDs used in the current study include constitutional, physico-chemical, topostructural, topochemical, and topological charge indices, walk and path counts, information-based indices, and a wide variety of 3D descriptors.
More specifically, ChemDes can compute 3679 descriptors and 59 types of molecular fingerprints, including, e.g., the one-dimensional bulk properties of compounds, the two-dimensional topological and charge indices, and more complex three-dimensional (3-D) descriptors.
In this paper we realize that this ability is considerably increased by using our home-made pharmacological distribution diagrams (PDDs) together with the topological charge indices, so that the efficient selection of new candidates within heterogeneous sets of compounds is possible.
Dragon software for molecular descriptors calculation, version 4.0 (Milano Chemometrics, 2003) was used for the calculation of 867 low-dimensional (0D 2D) descriptors, distributed along 12 blocks of descriptors, for example, constitutional descriptors, topological descriptors, connectivity indices, Galvez topological charge indices, functional groups count, and others.
