Sentence examples for interaction fingerprints from inspiring English sources

This makes rescoring via interaction fingerprints rather futile.

Another example which is for rational reasons hard to tackle with interaction fingerprints is the dataset for AChE.

Here, PADIF shows superior results, and some rules of thumb for a successful use of interaction fingerprints could be identified.

The docking results were encoded into the Structural Interaction Fingerprints and were automatically analyzed by support vector machine.

Our study implies that classical, binding site specific interaction fingerprints are best suited for standard virtual screening.

The described methods and their applications give reasons to hope that interaction fingerprints can aid the analysis of docking results.

The atom-pairs-based interaction fingerprint (APIF) encodes relative positions of pairs of interacting atoms in a 294 bit fingerprint [16].

structural interaction fingerprint.

atom pairs based interaction fingerprint.

structural protein ligand interaction fingerprint.

3D protein ligand interaction fingerprint Tanimoto similarity.