Sentence examples for multiple molecular representations from inspiring English sources

Herein the Consensus Diversity Plot (CDP) is proposed as a novel method to represent in low dimensions the diversity of chemical libraries considering simultaneously multiple molecular representations.

By analogy with the concept of activity [41] and property cliffs [42] this observation could be associated with a multiple-diversity cliff: compound collections that share similar diversity according to molecular representations (e.g., scaffold and fingerprints) but have opposite diversity considering other representation (e.g., physicochemical properties).

Adams, S. R. et al. Multicolor electron microscopy for simultaneous visualization of multiple molecular species.

Zhu, C. & Williams, T. E. Modeling concurrent binding of multiple molecular species in cell adhesion.

CDPs portray the diversity calculated with three major molecular representations: molecular scaffolds, fingerprints, and physicochemical properties.

According to the different molecular representations, the molecular descriptors are divided into 20 logical blocks.

Isatins have multiple molecular mechanisms to exert their anticancer activity.

Testing the statistical significance of molecular representations is a rational approach to select molecular representations to generate robust activity landscape models and identify statistically significant activity cliffs.

A large number of molecular representations exist, and there are several methods (similarity and distance metrics) to quantify the similarity of molecular representations.

Several standard molecular representations in ASCII format which are easily readable by molecular modeling and chemoinformatics software packages are available.

To deal with inconsistent molecular representations, we normalize the gene representations into a unified gene ID.