def yield_sooting_index(smiles: list, backend: str = 'padel') -> tuple:
# Temp. force to PaDEL
backend = 'padel'
trained_prj = get_prj('YSI', backend)
return (trained_prj.use(smiles, backend),
TEST_MED_ABS_ERRORS['YSI_{}'.format(backend)])
def research_octane_number(smiles: list, backend: str = 'padel') -> tuple:
trained_prj = get_prj('RON', backend)
return (trained_prj.use(smiles, backend),
TEST_MED_ABS_ERRORS['RON_{}'.format(backend)])
def octane_sensitivity(smiles: list, backend: str = 'padel') -> tuple:
trained_prj = get_prj('OS', backend)
return (trained_prj.use(smiles, backend),
TEST_MED_ABS_ERRORS['OS_{}'.format(backend)])
def pour_point(smiles: list, backend: str = 'padel') -> tuple:
trained_prj = get_prj('PP', backend)
return (trained_prj.use(smiles, backend),
TEST_MED_ABS_ERRORS['PP_{}'.format(backend)])
def kinematic_viscosity(smiles: list, backend: str = 'padel') -> tuple:
trained_prj = get_prj('KV', backend)
return (trained_prj.use(smiles, backend),
TEST_MED_ABS_ERRORS['KV_{}'.format(backend)])