In [1]:

    

from pubchempy import *


    

In [24]:

    

from thermo import *
from thermo.elements import periodic_table
data = {}
for k, d in periodic_table.symbol_to_elements.items():
    pass
    try:
        cid = get_compounds('InChI=1S/' + d.InChI, namespace='inchi')[0].cid
        data[k] = cid
#         Chemical(k).PubChem
    except:
        print(k)


    

    




Rg
Og
Mc
Nh
Fl
Cn
Ts
Lv
Ds

In [33]:

    

Chemical('Ru').PubChem


    

    
Out[33]:





23950

In [41]:

    

# i = periodic_table.Na.InChI
# i

for k, d in periodic_table.symbol_to_elements.items():
    if k in data:
        try:
            chem = Chemical(k)
            if chem.PubChem != data[k]:
                print('FAILED', d.name)
        except:
            print(k)


    

    




Rf
Bh
Br
H
C
Hs
('FAILED', 'Oxygen')
Mt
S
Fr
Fm
F
N
Sg
Cl
Lr
Th
Db
('FAILED', 'Iodine')
Ac

In [21]:

    




    

    
Out[21]:





5360545

In [14]:

    




    

    
Out[14]:





u'Na'

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