drug_exp_prop {dbparser}R Documentation

Drug Experimental Properties parser

Description

Drug properties that have been experimentally proven

Usage

drug_exp_prop()

Value

a tibble with the following variables:

kind

Name of the property.

value

Drug properties that have been experimentally proven.

source

Reference to the source of this experimental data.

drugbank_id

drugbank id

The following experimental properties are provided:

Water Solubility

The experimentally determined aqueous solubility of the molecule.

Molecular Formula

Protein formula of Biotech drugs

Molecular Weight

Protein weight of Biotech drugs.

Melting Point

The experimentally determined temperature at which the drug molecule changes from solid to liquid at atmospheric temperature.

Boiling Point

The experimentally determined temperature at which the drug molecule changes from liquid to gas at atmospheric temperature.

Hydrophobicity

The ability of a molecule to repel water rather than absorb or dissolve water.

Isoelectric Point

The pH value at which the net electric charge of a molecule is zero.

caco2 Permeability

A continuous line of heterogenous human epithelial colorectal adenocarcinoma cells, CAC02 cells are employed as a model of human intestinal absorption of various drugs and compounds. CAC02 cell permeability is ultimately an assay to measure drug absorption.

pKa

The experimentally determined pka value of the molecule

logP

The experimentally determined partition coefficient (LogP) based on the ratio of solubility of the molecule in 1-octanol compared to water.

logS

The intrinsic solubility of a given compound is the concentration in equilibrium with its solid phase that dissolves into solution, given as the natural logarithm (LogS) of the concentration.

Radioactivity

The property to spontaneously emit particles (alpha, beta, neutron) or radiation (gamma, K capture), or both at the same time, from the decay of certain nuclides.


[Package dbparser version 2.0.2 Index]