Sentence examples for between a query molecule from inspiring English sources

Here we report a novel chemical database search method that allows the exact size of the maximum common edge subgraph (MCES) between a query molecule and molecules in a database to be calculated rapidly.

In a ligand‐based VS experiment, the similarity between every library molecule and a query molecule is measured by some similarity function.

If a query molecule is a substructure of a target molecule, then all of the bits set in the query molecule will also be set in the target molecule.

ACPC allows rank-ordering of a compound database against a query molecule.

Combined with a scoring function, it can rank-order a database of compounds versus a query molecule.

A scaffold is a particular substructure that can be obtained based on the full structure of a query molecule.

Combined with a scoring function, the descriptor allows to rank-order a database of compounds versus a query molecule.

Following the entry of a query molecule, the target search can be initiated by clicking on the "Submit" button.

Hence, all parts of a query molecule are equally important for the OA.

In a virtual screening, a chemical library is searched for molecules with similar properties to a query molecule by means of a similarity function.

The importance of a query molecule's atoms can be integrated in the optimal assignment by weighting the assignment edges.