Sentence examples for molecular fingerprint based from inspiring English sources

Here we first show that force-clamp spectroscopy is a sensitive technique that provides a molecular fingerprint based on the unfolding step size of four single-monomer proteins.

Single-protein force experiments have relied on a molecular fingerprint based on tethering multiple single-protein domains in a polyprotein chain.

The molecular fingerprint, based on 166 structural features (Fig. 2D), of each compound was compared pair-wise with all others, and the Tanimoto coefficients were computed as measures of similarity (Maggiora and Shanmugasundaram, 2011).

Interestingly, many graph kernel approaches from Computer Science share properties of traditional similarity measures for chemical compounds, like molecular fingerprints based on paths, cycles and subgraphs.

Ultrahigh-resolution mass spectroscopy served to describe the molecular diversity of DOC removed from the water and molecular fingerprinting based on 16S rRNA was used to infer microbial biodiversity.

The enhancement of the Raman spectrum of an analyte in proximity to metal surfaces (surface-enhanced Raman spectroscopy, or SERS) can significantly increase spectral intensity without loss of specificity, and consequently molecular fingerprinting based on SERS has been applied to microorganisms with considerable success [6] [8].

Admittedly, evaluation of molecular fingerprints based upon expression of a few genes is a limited approach, but our findings on gene expression in chondrocytes and osteoblasts of the gar and zebrafish suggest evolutionary trends that could be embellished by massively parallel transcriptomics (e.g., RNA-seq; [ 59]).

For activity cliffs defined on the basis of calculated (molecular fingerprint-based) similarity values, comparable observations were made.

These methods revolve around one of two metrics: a ligand based QSAR analysis [3], or fingerprint based molecular docking and scoring [4].

The research aimed to investigate whether new approaches can improve a molecular fingerprint-based method of identifying structurally similar compounds from databases of HSQC spectra.

One way of obtaining a suitable hierarchy is hierarchical clustering where one can employ, again, the molecular fingerprint-based similarity and use it to cluster the compounds with an arbitrary hierarchical clustering algorithm.