Assay Related Target Similarity (ARTS) - Chemogenomics Approach for Quantitative Comparison of Biological Targets
| العنوان: | Assay Related Target Similarity (ARTS) - Chemogenomics Approach for Quantitative Comparison of Biological Targets |
|---|---|
| المؤلفون: | Ralf Heilker, Gisbert Schneider, Michael Bieler, Herbert Köppen |
| المصدر: | Journal of Chemical Information and Modeling. 51:1897-1905 |
| بيانات النشر: | American Chemical Society (ACS), 2011. |
| سنة النشر: | 2011 |
| مصطلحات موضوعية: | Models, Molecular, Chemistry, Pharmaceutical, General Chemical Engineering, Computational biology, Library and Information Sciences, Biology, Ligands, computer.software_genre, Receptors, G-Protein-Coupled, Radioligand Assay, Structure-Activity Relationship, chemistry.chemical_compound, Similarity (network science), Drug Discovery, Chemogenomics, Humans, Computer Simulation, Amino Acid Sequence, Databases, Protein, Binding Sites, Dose-Response Relationship, Drug, Macromolecular drug, Genomics, General Chemistry, Computer Science Applications, Models, Chemical, Pharmaceutical Preparations, chemistry, Drug Design, Data mining, computer, Algorithms, Protein Binding |
| الوصف: | Computer-based chemogenomics approaches compare macromolecular drug targets based on their amino acid sequences or derived properties, by similarity of their ligands, or according to ligand-target interaction models. Here we present ARTS (Assay Related Target Similarity) as a quantitative index that estimates target similarity directly from measured affinities of a set of probe compounds. This approach reduces the risk of deducing artificial target relationships from mutually inactive compounds. ARTS implements a scoring scheme that matches intertarget similarity based on dose-response measurements. While all experimentally derived target similarities have a tendency to be data set-dependent, we demonstrate that ARTS depends less on the used data set than the commonly used Pearson correlation or Tanimoto index. |
| تدمد: | 1549-960X 1549-9596 |
| URL الوصول: | https://explore.openaire.eu/search/publication?articleId=doi_dedup___::244d0635947ec972072232453451b936 https://doi.org/10.1021/ci200105t |
| رقم الأكسشن: | edsair.doi.dedup.....244d0635947ec972072232453451b936 |
| قاعدة البيانات: | OpenAIRE |
Find this issue from the American Chemical Society | تدمد: | 1549960X 15499596 |
|---|