Sentence examples for compound is predicted from inspiring English sources
If a compound is predicted to be toxic, what are the causal factors for its toxicity?
In (e), a single inactive compound is predicted with lower probability and is moved 4 positions downwards in the ranking.
The Al8(Mn,Fe 5 intermetallic compound is predicted to have the lowest efficiency as a nucleant for magnesium grains.
A compound entry contains the chemical formula, exact mass, InChIKey canonical SMILES [45], FP2 and FP4 fingerprints and lists of reactions in which the compound is predicted to participate as a reactant or product.
(iii) An Al3Sr8 phase, isostructural with the recently discovered Al3Ca8 compound, is predicted to lie above the ground state hull and is not a T=0 K ground state.
The present study offers further proof-of-concept of localized QSRR modelling, in which the retention of any given compound is predicted using only the most chromatographically similar compounds in the available dataset.
Based on the biochemical composition and FT-IR analysis, the flocculant compound was predicted as a polysaccharide derivative.
Finally, the query compound was predicted by a linear model using k nearest neighbors and the descriptor D (k). Figure 4 shows the flowchart of the LLR modeling.
Based on the simulation results, glass transition temperature (Tg), linear thermal expansion coefficients and Young's modulus of the cross-linked epoxy resin compound were predicted.
This compound was predicted to have potential for BBB penetration based on in silico and in vitro evaluation of passive permeability.
