Sentence examples for multiple molecule methods from inspiring English sources

So, we must first define pairwise-molecular metrics before we define multiple molecule methods.

The multiple-molecule methods we will describe are generated by mathematically combining pairwise-molecular metrics.

Multiple-molecule methods are often built on the pairwise-similarities between molecules.

Knowing that these are the best multiple-molecule methods helps direct future algorithmic work.

By convention, lower ranks correspond to higher similarities, so we negate various aggregations of the single-molecule rankings to define new multiple-molecule methods.

The multiple-molecule methods we describe are based on multiple-molecule similarities defined as between the query molecules and each molecule ℬ in the database.

However, in the case of multiple-molecule methods, where pairwise-metrics are mathematically combined to generate a composite score, monotone transformations applied to the pairwise-metric can substantially affect the final rankings.

If a particular multiple-molecule method worked best for Tanimoto, it would also work best when other metrics were used.

In the following sections, for brevity and clarity, abbreviations are used to references each of the different of multiple molecule query methods.

We both introduce novel multiple-molecule query methods and compare these methods with previously described multiple-molecule query methods using public activity data sets, a public background database, a strict cross-validation protocol, and reproducible evaluation methodology.

Multiple-molecule query methods have been less studied than single-molecule query methods.