[HTML][HTML] Towards a Universal SMILES representation-A standard method to generate canonical SMILES based on the InChI
NM O'Boyle - Journal of cheminformatics, 2012 - Springer
Background There are two line notations of chemical structures that have established
themselves in the field: the SMILES string and the InChI string. The InChI aims to provide a …
themselves in the field: the SMILES string and the InChI string. The InChI aims to provide a …
Towards a Universal SMILES representation-A standard method to generate canonical SMILES based on the InChI.
NM O'Boyle - Journal of Cheminformatics, 2012 - europepmc.org
Background There are two line notations of chemical structures that have established
themselves in the field: the SMILES string and the InChI string. The InChI aims to provide a …
themselves in the field: the SMILES string and the InChI string. The InChI aims to provide a …
Towards a Universal SMILES representation-A standard method to generate canonical SMILES based on the InChI
NM O'Boyle - Journal of Cheminformatics, 2012 - search.proquest.com
Background: There are two line notations of chemical structures that have established
themselves in the field: the SMILES string and the InChI string. The InChI aims to provide a …
themselves in the field: the SMILES string and the InChI string. The InChI aims to provide a …
Towards a Universal SMILES representation-A standard method to generate canonical SMILES based on the InChI
NM O'Boyle - Journal of cheminformatics, 2012 - pubmed.ncbi.nlm.nih.gov
Background There are two line notations of chemical structures that have established
themselves in the field: the SMILES string and the InChI string. The InChI aims to provide a …
themselves in the field: the SMILES string and the InChI string. The InChI aims to provide a …
[PDF][PDF] Towards a Universal SMILES representation-A standard method to generate canonical SMILES based on the InChI
NM O'Boyle - 2012 - Citeseer
Background: There are two line notations of chemical structures that have established
themselves in the field: the SMILES string and the InChI string. The InChI aims to provide a …
themselves in the field: the SMILES string and the InChI string. The InChI aims to provide a …
Towards a Universal SMILES representation-A standard method to generate canonical SMILES based on the InChI
NM O'Boyle - Journal of Cheminformatics, 2012 - cir.nii.ac.jp
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There are two line notations of chemical structures that have established themselves in the …
There are two line notations of chemical structures that have established themselves in the …
[PDF][PDF] Towards a Universal SMILES representation-A standard method to generate canonical SMILES based on the InChI
NM O'Boyle - 2012 - scienceopen.com
Background: There are two line notations of chemical structures that have established
themselves in the field: the SMILES string and the InChI string. The InChI aims to provide a …
themselves in the field: the SMILES string and the InChI string. The InChI aims to provide a …
[HTML][HTML] Towards a Universal SMILES representation-A standard method to generate canonical SMILES based on the InChI
NM O'Boyle - Journal of Cheminformatics, 2012 - jcheminf.biomedcentral.com
There are two line notations of chemical structures that have established themselves in the
field: the SMILES string and the InChI string. The InChI aims to provide a unique, or …
field: the SMILES string and the InChI string. The InChI aims to provide a unique, or …
[HTML][HTML] Towards a Universal SMILES representation-A standard method to generate canonical SMILES based on the InChI
NM O'Boyle - Journal of Cheminformatics, 2012 - ncbi.nlm.nih.gov
Background There are two line notations of chemical structures that have established
themselves in the field: the SMILES string and the InChI string. The InChI aims to provide a …
themselves in the field: the SMILES string and the InChI string. The InChI aims to provide a …
Towards a Universal SMILES representation-A standard method to generate canonical SMILES based on the InChI.
NM O'Boyle - Journal of Cheminformatics, 2012 - search.ebscohost.com
Background: There are two line notations of chemical structures that have established
themselves in the field: the SMILES string and the InChI string. The InChI aims to provide a …
themselves in the field: the SMILES string and the InChI string. The InChI aims to provide a …