I’m trying to retrieve substances with stereochemistry matching a SMILES query and to see that reflected in the stereochemistry facets. Using strMode=drw, I expected the facet “Absolute Stereo Match” to be > 0 when answers have the same absolute stereochemistry as the query. Instead, I only see counts for “Stereo in Answer Structure” and “No Stereo in Answer Structure,” and “Absolute Stereo Match” is always 0.
request:
https://helium.cas.org/integration/v1/substances?str=C(C)(C)(C)C1=C(O)C(C(C)(C)C)=CC(C(CC)C)=C1&strMode=drw&offset=0&length=10&facet=true&fq=Isotopes%3ANot%20Containing%20Isotopes&fq=Number%20of%20Components%3A1
Relevant response excerpt (facet):
{
"fieldName": "Stereochemistry",
"facetBins": [
{ "binName": "Stereo in Answer Structure", "count": 1 },
{ "binName": "No Stereo in Answer Structure", "count": 2 },
{ "binName": "Absolute Stereo Match", "count": 0 },
{ "binName": "Absolute Stereo Mirror Image", "count": 0 },
{ "binName": "Relative Stereo Match", "count": 0 },
{ "binName": "Stereo that Doesn’t Match Query", "count": 0 },
{ "binName": "Double Bond Geometry As Drawn", "count": 0 }
]
}
I’m trying to retrieve substances with stereochemistry matching a SMILES query and to see that reflected in the stereochemistry facets. Using strMode=drw, I expected the facet “Absolute Stereo Match” to be > 0 when answers have the same absolute stereochemistry as the query. Instead, I only see counts for “Stereo in Answer Structure” and “No Stereo in Answer Structure,” and “Absolute Stereo Match” is always 0.
request:
https://helium.cas.org/integration/v1/substances?str=C(C)(C)(C)C1=C(O)C(C(C)(C)C)=CC(C(CC)C)=C1&strMode=drw&offset=0&length=10&facet=true&fq=Isotopes%3ANot%20Containing%20Isotopes&fq=Number%20of%20Components%3A1
Relevant response excerpt (facet):
{
"fieldName": "Stereochemistry",
"facetBins": [
{ "binName": "Stereo in Answer Structure", "count": 1 },
{ "binName": "No Stereo in Answer Structure", "count": 2 },
{ "binName": "Absolute Stereo Match", "count": 0 },
{ "binName": "Absolute Stereo Mirror Image", "count": 0 },
{ "binName": "Relative Stereo Match", "count": 0 },
{ "binName": "Stereo that Doesn’t Match Query", "count": 0 },
{ "binName": "Double Bond Geometry As Drawn", "count": 0 }
]
}