drug_salts {dbparser} | 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