The application of computational approaches in drug discovery has been consolidated in
the last decades. These families of techniques are usually grouped under the common …

The attrition rate of drugs in clinical trials is generally quite high, with estimates suggesting
that approximately 90% of drugs fail to make it through the process. The identification of …

This study introduces a novel cheminformatic read-across approach designed to identify
potential environmental obesogens, substances capable of disrupting metabolism and …

Point of departure (POD) is a concept used in risk assessment to calculate the reference
dose of exposure that is likely to have no appreciable risk on health. POD can be directly …

The tobacco mosaic virus coat protein (TMV-CP) is indispensable for the virus's replication,
movement and transmission, as well as for the host plant's immune system to recognize it. It …

In the realm of crop protection products, ensuring the safety of pollinators stands as a pivotal
aspect of advancing sustainable solutions. Extensive research has been dedicated to this …

Development of a new drug currently takes 10-12 years with costs of around 2 billion EUR.
The two main reasons for failures comprise lack of efficacy and unforeseen toxicity. For the …

Ensuring the safety and efficacy of chemical compounds is crucial in small-molecule drug
development. In the later stages of drug development, toxic compounds pose a significant …

The field of toxicology is undergoing a significant transformation due to the integration of
artificial intelligence (AI). In addition to traditional reliance on empirical studies and animal …

The designing of chemicals and processes that minimize manufacturing of compounds that
are detrimental to people, plants, animals, and the environment is known as “green …