Cargando…
Structured data sets of compounds with multi-target and corresponding single-target activity from biological assays
AIM: Providing compound data sets for promiscuity analysis with single-target (ST) and multi-target (MT) activity, taking confirmed inactivity against targets into account. METHODOLOGY: Compounds and target annotations are extracted from screening assays. For a given combination of targets, MT and S...
Autores principales: | Feldmann, Christian, Yonchev, Dimitar, Bajorath, Jürgen |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Future Science Ltd
2021
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8147869/ https://www.ncbi.nlm.nih.gov/pubmed/34046190 http://dx.doi.org/10.2144/fsoa-2020-0209 |
Ejemplares similares
-
Analysis of Biological Screening Compounds with Single- or Multi-Target Activity via Diagnostic Machine Learning
por: Feldmann, Christian, et al.
Publicado: (2020) -
Identifying Promiscuous Compounds with Activity against Different Target Classes
por: Feldmann, Christian, et al.
Publicado: (2019) -
Series of screening compounds with high hit rates for the exploration of multi-target activities and assay interference
por: Stumpfe, Dagmar, et al.
Publicado: (2018) -
Compound dataset and custom code for deep generative multi-target compound design
por: Blaschke, Thomas, et al.
Publicado: (2021) -
Systematic identification of target set-dependent activity cliffs
por: Hu, Huabin, et al.
Publicado: (2019)