Within a chemical approach a modified TBC adhesion mechanism has been assessed implementing a compound alumina yttria TGO into the current understanding of TBC adhesion.
Web services are no exception, as they are normally intricate software components that frequently implement a compound task, in some cases using compositions of several services, which makes them even more complex.
We implemented a method to annotate compounds in a computational framework that allows the introduction of prior knowledge and additional spectral information.
In order to explore new biosynthetic pathways for compounds, we implemented a retrosynthetic algorithm in the EMRS to build the map of all reachable compounds from the chassis organism through biochemical transformations.
Gupta et al. recently implemented a chemical screen and discovered compounds showing selective toxicity for breast CSCs, including salinomycin [ 35].
To identify hBChE variants that showed resistance to inhibition of functional activity by nerve agent model compounds, we implemented a directed molecular evolution approach in a mammalian cell -based functional screen.
To create these fluorescent and bioactive compounds we implemented a strategy based on structure activity information, in which important substituents for bioactivity on the pilicide/curlicide central fragment were replaced by fluorophores.
We have implemented a method for the extraction of inactive compounds from the PubChem repository.
We have implemented a web-based Chemical Translation Service that performs batch conversions of the most common compound identifiers, including CAS, CHEBI, compound formulas, Human Metabolome Database HMDB, InChI, InChIKey, IUPAC name, KEGG, LipidMaps, PubChem CID+SID, SMILES and chemical synonym names.
By using the hypergraph formalism, we implemented a retrosynthetic algorithm that enumerates all pathways starting from target compounds of interest.
