ChemoDOTS web server data files
Authors/Creators
-
1.
Ontario Institute for Cancer Research
- 2. Cancer Research Center of Marseille (CRCM)
Description
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)
Files
ChemoDOTS_list_of_chemical_reactions_2024.pdf
Files
(65.3 MB)
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md5:7dec23c279090cf17bd447b969eead60
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md5:57d9ca776dff0b2632644cb46164f8c1
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md5:fe1876f20ddfe8ed4e0ee7526f1946cd
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md5:6fcf1a75f7bad040ddf7c4c3509c7686
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20.0 MB | Download |
Additional details
Funding
- Agence Nationale de la Recherche
- Methodological development to accelerate identification & optimization of covalent hits – Cov-H2L ANR-20-CE18-0025
- Agence Nationale de la Recherche
- Development of immune checkpoint inhibitors using DOTS - an innovative fragment-based drug design approach – ImmunoH2L ANR-22-CE18-0023