Sentence examples for diverse compound from inspiring English sources

Graphical abstract Selecting diverse compound libraries with scaffold analyses.

Algorithms for R-Group table generation, similarity searching and diverse compound picking were written in-house.

A molecular docking-based virtual screening task can be conducted starting with a target protein and a large, diverse compound library.

More specifically, classification of a diverse compound set deeply influences the validation and the predictive power of prediction model for the designing of novel compounds.

For gene transactivation, the functional activity of the agonists, a corresponding model for a similarly diverse compound set is of somewhat lower statistical quality.

The method can be applied in the lead identification process but might also be useful to study the limitation of QSPR models by creating large, diverse compound sets falling into the same range of predicted QSPR values.

From each of these sets of actives, the 100 most diverse compounds were chosen using the diversity picker of RDKit [42] resulting in total 5000 actives.

Although a noble metal, gold can form many diverse compounds.

Primarily, kinetic experiments of diverse compounds were explored.

We, therefore, conclude that we have predicted diverse compounds that can potentially act as anti-tb.

Plants from the genus Zapoteca (Fabaceae) have been the origin of diverse compounds with antiprotozoal activities.