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Tried to remove the OpenBabel dependency and use RDKit instead #7

@catastropiyush

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@catastropiyush

Hello,
Thank you for this repository. I was learning about organic synthesis and came across this repository. Since I mostly use RDKit, I tried to convert the code so that it is not dependent on OpenBabel.
I have attached a google colab of the code. I am going through the bottcher values once again but if you can point out mistakes it would be helpful!


Testing Corrected BottchScore with E/Z Isomers and Chiral Centers:
================================================================================
SMILES: CC(/C=C/C1=CC=CC=C1)=O                        | Score:   80.60
SMILES: Cl/C=C\C=C\Br                                 | Score:   68.59
SMILES: CC/C(C1=CC=CC=C1)=C(C2=CC=CC=C2)/CC           | Score:   60.26
SMILES: C/C(=C(/C=C/C)\CCC)/CC                        | Score:   71.51
SMILES: CC/C=C(C)/[2H]                                | Score:   31.51
SMILES: CC/C=C1CCC[C@H](Br)C/1                        | Score:  106.97
================================================================================

Thank you for your time,
Piyush

https://colab.research.google.com/drive/1w_IUO7JNYWzBierJxPqbyJ-Pq4u8e165?usp=sharing

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