Sentence examples for compound overlap from inspiring English sources

In our use case, P-gp and BCRP inhibition data was collected and their compound overlap was determined.

After determination of compound overlap, machine learning approaches were used to establish multi-label classification models for BCRP/P-gp.

Overall, while the compound overlap is relatively small, it appears that both platforms provide reliable and closely agreeing measurements of the lipid content in serum.

Common cheminformatics tasks during database curation like multiple stereoisomers, different salt forms and tautomer normalization [46] and compound overlap calculations were not investigated in this report due to the multiple problems in the first place.

As evidence for the precision of these methods, some of the results (e.g. the BACE1 set) show single-digit compound overlaps that have been verified by manual inspection.

The repeat counts are hotlinked to the information page where frequency of mono hexa repeats, perfect, imperfect, compound, overlapping compound [overlap of few bases of previous SSR with next SSR, e.g. (ACC n CT n] and perfect compound SSRs are displayed.

This can be advantages, as sometimes compounds overlap in the field of view, enlarging the 3D space overcomes that effect.

It would become possible to easily infer relationships among physicochemical properties and ADMET properties and adverse effects based on how new compounds overlap with the space of approved drugs and their targets for new compounds.

The hydrophobic adamantyl group is predicted to stack with Tyr 177 at a distance of ∼3.5 Å. Docking studies with 28 and 31 reveal that the best poses of these two compounds overlap nicely with each other.

The compounds overlapping with any of these four sets were removed from the PATENTS set.

Aggregating all commercial sources established that while 1 million compounds overlapped with PubChem 1.2 million did not.