Chemical Informatics

Molecular Descriptors and its Types and Importance

A sub-atomic descriptor is an underlying or physicochemical property of a particle or part of a particle. Sub-atomic descriptors got from nuclear or sub-atomic properties that interpret physicochemical, topological, and surface properties of mixtures to build up the establishment for in silico prescient toxicology. The atomic descriptors that are utilized in ADMET models can be named being one-layered (1D), two-layered (2D), or three-layered (3D) descriptors dependent fair and square of sub-atomic portrayal needed for ascertaining the descriptor. The 1D descriptors are the easiest sort of sub-atomic descriptors, these address data that are determined from the sub-atomic recipe of the particle, which remembers the count and kind of iotas for the atom and the sub-atomic weight.

Author(s):

Heba Ibrahim*

Abstract | PDF

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