The design and synthesis of materials with useful, novel properties is one of the most active
areas of contemporary science, generating a veritable explosion of scientific activity in areas …

The management of parasites, insect pests and vectors requests development of novel,
effective and eco-friendly tools. The development of resistance towards many drugs and …

Nanotechnology that develops novel materials at size of 100 nm or less has become one of
the most promising areas of human endeavor. Because of their intrinsic properties …

This study reports robust reliable ensemble learning (EL) approach based nano-QSAR
models for predicting the biological effects of diverse nanomaterials (NMs) using simple …

Nanotechnology is expected to be promising in many fields of medical applications, mainly
in cancer treatment. While a large number of very attractive exploitations open up for the …

The past fifty years have seen a surge in the use of materials for clinical application, but in
order to understand and exploit their full potential, the scientific complexity at both sides of …

Rational design is applied in the discovery of novel lead drugs. Its rapid development is
mainly attributed to the tremendous advancements in the computer science, statistics …

In this work we have developed an in silico model to predict the inhibition of β-amyloid
aggregation by small organic molecules. In particular we have explored the inhibitory activity …

Fullerene and its derivatives have potential antiviral activity due to their specific binding
interactions with biological molecules. In this study fullerene derivatives were investigated …

In this contribution, the advantages and limitations of two computational techniques that can
be used for the investigation of nanoparticles activity and toxicity: classic nano-QSAR …