Sentence examples for subsets of molecules from inspiring English sources

SA2 provides the possibility of extracting diverse subsets of molecules using scaffold-based min-max algorithms.

The second presented approach deals with the problem of finding diverse subsets of molecules [2].

The vSDC method amounts to considering the intersection of subsets of molecules taken from the four programs.

We may ask if it would not be more efficient to consider instead the union of subsets of molecules.

By separating the sample into distinct groups of lipids, LC sends particular subsets of molecules into the mass spectrometer in distinct pulses.

Besides various search and visualisation capabilities, SA2 can also be used to manage the provenance of stored compounds, and to create new subsets of molecules using many different methods, e.g. filtering, merging or diversity.

Conventional approaches to studying antiviral responses have primarily used reductionist systems to assess the function of a single or a limited subset of molecules.

For this purpose, a representative subset of molecules from the PubChem database [11] was used.

A subset of molecules from thePubChem Substances database was used as benchmark set.

The CV RMSE for a subset of molecules that decomposed was 47.7 °C, i.e. significantly larger compared to the 36.5 °C calculated for the subset of molecules without the decomposition.

This approach implements convergent evolutionary operations through bond and/or atom modifications on an initial library of molecules to acquire a maximally diverse subset of molecules.