Sentence examples for molecular optimization process from inspiring English sources

This study investigates how prediction-driven MMP rules can guide the molecular optimization process.

This can facilitate drug design as a part of molecular optimization process.

MMP analysis has a practical goal: molecular transformations can help medicinal chemists to drive the molecular optimization process.

Instead, we will consider it when using these transformations in the molecular optimization process, which is often the ultimate goal of the MMP analysis.

We showed that, compared to traditional MMPs, which are derived from experimental data only, predicted-driven MMPs provide added value and could be used to guide the molecular optimization process by generating many more suggestions for medicinal chemists.

The study shows that such an approach, referred to as prediction-driven MMP analysis, is a useful tool for medicinal chemists, allowing identification of large numbers of "interesting" transformations that can be used to drive the molecular optimization process.

Additionally, a full-time molecular optimization module called ChemMOP was also developed to perform the molecular optimization operation conveniently.

With a limited number of microsatellite-type markers, Fernández et al. [ 7] concluded that the exclusive use of molecular information to compute coancestry coefficients for the optimization process was of limited value to maintain genetic diversity compared to genealogical information.

Our drug catalog holds information relevant to 84 targeted drugs used in cancer treatment (and other diseases) and covers the respective main-target and off-target profiles of the drugs along with known binding parameters of more than 80 different molecular targeted drugs (non/anti-cancer drugs), used for the drug optimization process.

Molecular optimization is carried-out using a single objective function on the process costs.

Relating chemical features to bioactivities is critical in molecular design and is used extensively in the lead discovery and optimization process.