The illustration depicts some of the innovative ideas that underpin the new machine learning model that can quickly and accurately predict the dielectric function of simple molecules, such as ...

Learning more about which membrane transporters help drugs pass through the digestive tract could help developers improve the absorbability of new drugs.

Minimalizing the scoring function, on the other hand, resulted in a significant mixture of aliphatic sp3-type carbons and aromatic rings, suitably sized fragments, and characteristic groups seen ...

TNO has developed proven translational preclinical and early clinical models that offer predictive data in novel pharmaceutical and bioactive compounds.

The generalization performance of the support vector machine model is improved. At the same time, an improved particle swarm optimization algorithm is introduced to determine the optimal parameters of ...