Class ToxicityPredictor

constructor

• new ToxicityPredictor(): ToxicityPredictor

• Returns ToxicityPredictor

Static RISK_HIGH

Static RISK_LOW

Static RISK_NAMES

Static RISK_NO

Static RISK_UNKNOWN

Static TYPE_IRRITANT

Static TYPE_MUTAGENIC

Static TYPE_REPRODUCTIVE_EFFECTIVE

Static TYPE_TUMORIGENIC

assessRisk

• assessRisk(molecule, riskType): number

• Returns the calculated risk as an integer.

  Parameters

  • molecule: Molecule

  • riskType: number

  Returns number

getDetail

• getDetail(molecule, riskType): IParameterizedString[]

• Returns detailed information about the risk and the substructures that are responsible for it.

  Parameters

  • molecule: Molecule

  • riskType: number

  Returns IParameterizedString[]

getOCL

• getOCL(): any

• Returns the OCL object.

  Returns any