ChemoDOTS web server data files

This archive contains files related to the ChemoDOTS web server (https://chemodots.marseille.inserm.fr/) ChemoDOTS_list_of_chemical_functions.xlsx: List of chemical functions recognized by the ChemoDOTS web server and corresponding SMILES. ChemoDOTS_list_of_chemical_reactions.xlsx: List of chemical...

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Bibliographic Details
Main Authors: Hoffer, Laurent, Charifi-Hoareau, Guillaume, Barelier, Sarah, Betzi, Stephane, Miller, Thomas W, Morelli, Xavier, Roche, Philippe
Format: Dataset
Language:English
Online Access:Get full text
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Description
Summary:This archive contains files related to the ChemoDOTS web server (https://chemodots.marseille.inserm.fr/) ChemoDOTS_list_of_chemical_functions.xlsx: List of chemical functions recognized by the ChemoDOTS web server and corresponding SMILES. ChemoDOTS_list_of_chemical_reactions.xlsx: List of chemical reactions rimplemented in the ChemoDOTS web server and corresponding SMARTS. ChemoDOTS_list_of_chemical_reactions_2024.pdf: List of chemical reactions implemented in the ChemoDOTS web server ChemoDOTS_list_of_chemical_reactions_by-functions_2024.pdf: List of chemical reactions implemented in the ChemoDOTS web server sorted by chemical functions. ChemoDOTS_MolPort_BBs.smi: Building Blocks from MolPort used in ChemoDOTS (version 2024-03-01) ChemoDOTS_Enamine_BBs.smi: Building Blocks from Enamine used in ChemoDOTS (version 2024-03-01)  
ISSN:1362-4962
DOI:10.5281/zenodo.10776786