GLaDOS
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chembl
Web Interface for ChEMBL @ EMBL-EBI
Hi there, I came across several inhibitors for estrogen receptor alpha where the activity comment does not comply with the standard or pChembl values. For instance, a good inhibitor is...
Hi David, Thanks for the suggestions. They look good. :slightly_smiling_face: My comments are: • For the ‘*Representations*’: Please can you partially hide the molfile. It is very helpful to have...
Searched for 5-HT4 and selected human target then displayed bioactivities page. Says there are 29 max_phase 4 compounds etc. I think there are just 4 (Max_phase 4) for this target...
A search for iodobenzene (https://www.ebi.ac.uk/chembl/g/#substructure_search_results/Ic1ccccc1) gave results with incorrect highlighting of the substructure. Check both the substructure endpoint from the web services and the highlighting endpoint from beaker.
Do you think you could add a like to register on the chembl mailing list?
- [x] 1. Add a custom sorting for the release date filter in documents. - [ ] 2. Remove time from release date. - [x] 3. Show Molecule Features for...
- [x] Amend the drug_indications and drug_mechanism section of the compound report card so that parent and alternative drug forms are clearly specified (use the existing example that we have...
ChEMBL is using RDKit to generate SMILES but a discrepancy in the SMILES in ChEMBL versus those generated by RDKit (version 2022.09.4) was identified: e.g. Version 2022.09.4 RDKit SMILES: CO[C@H]1CC@HCc2cc(cc(Cl)c2O)NC(=O)C(C)=CCCC@HC@@HC(C)=CC@H[C@H]1O...
I noticed when embedding compound report cards, the embed will not update if you change the compound ID in the URL in the same tab. Instead, it keeps showing the...
Hi! I am interested in assigning 3D coordinates to (atoms in) some 10K compounds I have originally from ChEMBL. This is because as have been shown by many chemoinformatics papers,...
