Dear Stephane,
you may want to take a look at this older thread:
https://sourceforge.net/p/rdkit/mailman/rdkit-discuss/thread/8b455d6f-7817-5046-1f72-449954132621%40gmx.net/#msg37036275
Starting from just a molecular weight instead of a sum formula is
probably not making things easier.
Hope this helps,
Nils
Am 07.01.2021 um 19:45 schrieb BOURG Stephane:
Dear all,
I'm looking for a tool that can generate chemical structures from the
molecular weight of the compound.
Do you know RDKit functions or other tools able to offer that service ?
Best regards,
Stéphane BOURG, Ph. D.
Equipe Bioinformatique Structurale et Chémoinformatique (SBC)
Institut de Chimie Organique et Analytique (ICOA)
UMR CNRS-Université d’Orléans 7311
Pôle de Chimie
Rue de Chartres – BP 6759
45 067 Orléans Cedex 2
Tél : +33 (0)2 38 49 45 89
E-mail : stephane.bo...@cnrs.fr <mailto:stephane.bo...@cnrs.fr>
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