Class ToxicityPredictor

Index

Constructors

Properties

RISK_HIGH RISK_LOW RISK_NAMES RISK_NO RISK_UNKNOWN TYPE_IRRITANT TYPE_MUTAGENIC TYPE_REPRODUCTIVE_EFFECTIVE TYPE_TUMORIGENIC

Methods

assessRisk getDetail

Constructors

constructor

new ToxicityPredictor(): ToxicityPredictor
Returns ToxicityPredictor
- Defined in openchemlib-js/openchemlib-js/lib/index.d.ts:3476

Properties

`Static`RISK_HIGH

RISK_HIGH: number

`Static`RISK_LOW

RISK_LOW: number

`Static`RISK_NAMES

RISK_NAMES: string[]

`Static`RISK_NO

RISK_NO: number

`Static`RISK_UNKNOWN

RISK_UNKNOWN: number

`Static`TYPE_IRRITANT

TYPE_IRRITANT: number

`Static`TYPE_MUTAGENIC

TYPE_MUTAGENIC: number

`Static`TYPE_REPRODUCTIVE_EFFECTIVE

TYPE_REPRODUCTIVE_EFFECTIVE: number

`Static`TYPE_TUMORIGENIC

TYPE_TUMORIGENIC: number

Methods

assessRisk

assessRisk(molecule: Molecule, riskType: number): number
Returns the calculated risk as an integer.
Parameters
- molecule: Molecule
- riskType: number
Returns number
- Defined in openchemlib-js/openchemlib-js/lib/index.d.ts:3495

getDetail

getDetail(molecule: Molecule, riskType: number): ParameterizedString[]
Returns detailed information about the risk and the substructures that are responsible for it.
Parameters
- molecule: Molecule
- riskType: number
Returns ParameterizedString[]
- Defined in openchemlib-js/openchemlib-js/lib/index.d.ts:3503