chemicalchecker.util.keytype.detect.KeyTypeDetector

class KeyTypeDetector(keys, max_checks=1000, valid=0.75)

Bases: object

KeyTypeDetector class.

Initialize a KeyTypeDetector instance.

Parameters:

• keys (list) – Keys to be analyzed.

• max_checks (int) – Maximum number of checks to perform. (default=1000).

• valid (float) – Proportion of valid matches to decide on a key type. (default=0.75)

Methods

detect
is_inchi	Recognize InChI
is_inchikey	Recognize InChIKey
is_smiles	Recognize SMILES
type

static is_inchi(key)

Recognize InChI

static is_inchikey(key)

Recognize InChIKey

static is_smiles(key)

Recognize SMILES