drug_salts: Drug Salts parser
In ropensci/dbparser: Drugs Databases Parser

drug_salts

R Documentation

Drug Salts parser

Description

Available salt forms of the drug. Ions such as hydrochloride, sodium, and sulfate are often added to the drug molecule to increase solubility, dissolution, or absorption.

Usage

drug_salts()

Value

a tibble with 1 variables:

drugbank-id: DrugBank identifiers of the available salt form(s).
name: Name of the available salt form(s)
unii: Unique Ingredient Identifier (UNII) of the available salt form(s).
cas-number: Chemical Abstracts Service (CAS) registry number assigned to the salt form(s) of the drug.
inchikey: IUPAC International Chemical Identifier (InChi) key identifier for the available salt form(s).
average-mass: Average molecular mass: the weighted average of the isotopic masses of the salt.
monoisotopic-mass: The mass of the most abundant isotope of the salt
smiles: The simplified molecular-input line-entry system (SMILES) is a line notation used for describing the structure of chemical species using short ASCII strings; calculated by ChemAxon.
inchi: A prediction of the IUPAC International Chemical Identifier (InChI); imported by ChemAxon.
formula: Indicates the simple numbers of each type of atom within the molecule; calculated by ChemAxon.
drugbank_id: parent drugbank id