CAS Common Chemistry

Now there is a package for accessing the CAS Common Chemistry API: GitHub - tp2750/CasCommonChemistry.jl

It only exports two functions: cas, cas_search.
For interactive use, the cas function should all that is needed.

It takes a query string as input, and returns a DataFrame of matching records:

julia> using CasCommonChemistry

julia> cas("water")
# [ Info: Found 1 results from query 'water'. Fetching 1..1
# 1×15 DataFrame
#  Row │ hasMolfile  rn         name    inchi              replacedRns                        smile   experimentalProperties             ⋯
#      │ Bool        String     String  String             Vector{Any}                        String  Vector{Any}                        ⋯
# ─────┼──────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────
#    1 │       true  7732-18-5  Water   InChI=1S/H2O/h1H2  Any["558440-22-5", "558440-53-2"…  O       Any[Dict{String, Any}("name"=>"B…  ⋯

It is not registered yet.

Comments are welcome.

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