Sentence examples for structural fingerprints which from inspiring English sources

Both fingerprints belong to structural fingerprints which encode a bit string based on the topological structure.

Raman spectroscopy was carried out to provide a structural fingerprint by which molecules can be identified, thus clues detected by the ATR-FTIR could be confirmed.

Fingerprints used for screening are pattern fingerprints, which hash several common structural features defined by SMARTS patterns.

One category of structural fingerprints are the so-called circular fingerprints, which have already been introduced by Morgan in 1965 [5].

Similarly, many non-structural and quantitative measures of molecules can be encoded to bit fingerprints, which can greatly simplify the processing of queries with heterogeneous parameters (sometimes called hybrid queries [38, section 2.4]).

The Chilean military found "misfiled fingerprints" which verified this claim.

Anti-Collusion Codes (ACCs) are employed to design the fingerprints, which can accommodate more users than orthogonal modulation based fingerprints with the same amount of signals.

There are several reports in which the diversity of compound data sets is analyzed using molecular scaffolds, structural fingerprints, and/or physicochemical properties [4 6].

Several models from each algorithm have been constructed and optimized, with the different combination of molecular descriptors and structural fingerprints.

Those topological or structural fingerprints, like the MACCS keys [12] or Daylight fingerprints [13], are often used but lack the ability to perform "scaffold-hoppings" [14].

In Scaffold Hunter structural fingerprints such as the ECFP4 can be calculated and subsequently used to cluster the compounds w.r.t.