The chembl database in 2017. Nucleic acids research, 45(D1):D945-D954, 2016.Gaulton, A. et al. The ChEMBL database in 2017. Nucleic acids research, doi:10.1093/nar/gkw1074 (2016).Gaulton, A.; Hersey, A.; Nowotka, M.; Bento, A.P.; Chambers, J.; Mendez, D.; Mutowo, ...
et al. The ChEMBL database in 2017. Nucleic Acids Res. 45, D945–D954 (2017). Article CAS PubMed Google Scholar Coghlan, A. L. et al. Creating a screening set of potential anthelmintic compounds using ChEMBL. Protoc. Exch. https://doi.org/10.1038/protex.2018.053 (2018). Velankar...
The ChEMBL version used in this paper is ChEMBL 13, which was released on 29 February 2012. The SQL data dump provided by ChEMBL was inserted into a local MySQL database. A set of SQL queries were then executed to generate RDF triples using a set of PHP scripts. The scripts use SQL...
ChEMBL database structure pipelines Python18838 FPSim2FPSim2Public Simple package for fast molecular similarity searches Python11018 chembl_multitask_modelchembl_multitask_modelPublic Target prediction multitask neural network, with examples running it in Python, C++, Julia and JS ...
et al. The ChEMBL database in 2017. Nucleic Acids Res. 45, D945–D954 (2017). Article CAS PubMed Google Scholar Kim, S. et al. PubChem 2019 update: improved access to chemical data. Nucleic Acids Res. 47, D1102–D1109 (2019). Article PubMed Google Scholar Jagadeesh, K. A....
chembl/mychemblPublic archive NotificationsYou must be signed in to change notification settings Fork29 Star57 master 3Branches 0Tags Code Folders and files Name Last commit message Last commit date Latest commit mnowotka Rename TG_GATES_WS-1.ipynb to TG_GATES_WS.ipynb ...
Access to promoter sequences is provided by pointers to positions in nucleotide sequence entries. The annotation part of an entry includes a description of the initiation site mapping data, exhaustive cross-references to the EMBL nucleotide sequence database, SWISS-PROT, TRANSFAC and other databases,...
The nearest neighbours to Anle138b have a Tanimoto similarity of 0.5 and 0.45 and are experimental drugs, represented in the ChEMBL database as CHEMBL1567097 and CHEMBL1370387, respectively. CHEMBL1567097 is very chemically similar to Anle138b, with the only difference being a change from ...
which exhibits an expression pattern during development that documents its crucial role in osmoregulation. Examining this extensive data trove provides pioneering mechanistic insights into the developmental regulation of brachyurization in true crabs. Moreover, integrated analysis of multiple omic resources ha...
Homologous sequences of PpTra1 were retrieved from the RefSeq database39 with the blastp tool40 on the NCBI website. All homologous sequences with an identity above 25% were retained, and the MSA was performed using Cobalt41. The alignment was manually curated in Jalview42, and contained ...