Class ToxicityPredictor

constructor

• new ToxicityPredictor(): ToxicityPredictor

• Returns ToxicityPredictor

StaticRISK_HIGH

StaticRISK_LOW

StaticRISK_NAMES

StaticRISK_NO

StaticRISK_UNKNOWN

StaticTYPE_IRRITANT

StaticTYPE_MUTAGENIC

StaticTYPE_REPRODUCTIVE_EFFECTIVE

StaticTYPE_TUMORIGENIC

assessRisk

• assessRisk(molecule: Molecule, riskType: number): number

• Returns the calculated risk as an integer.

  Parameters

  • molecule: Molecule
  • riskType: number

  Returns number

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[]