theozh

Member for 4 years, 4 months
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molecular-structure

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Score Activity Newest Views

11

Substructure search with RDKit

Feb 28, 2020

6

How to search substructures with explicit hydrogen in RDKit?

Mar 6, 2020

6

OpenBabel: how to get correct SMILES from Gaussian output?

Jul 30, 2019

5

How to find the largest cyclic substructure with RDKit?

Apr 29, 2021

4

How to convert Gaussian input file .gjf to SMILES?

Jul 24, 2019

Answers

Score Activity Newest

5

Substructure search with RDKit

Feb 28, 2020

3

How to convert Gaussian input file .gjf to SMILES?

Jul 26, 2019

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molecular-structure

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cheminformatics

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computational-chemistry

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4

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software

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4

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fluorescence

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1

post

Reputation

+20

Substructure search with RDKit

+10

How to convert Excel comments to ChemDraw .cdx?

+10

Substructure search with RDKit

+10

How to calculate molecular emission spectra?

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