Over the last decade, increasing interest has been attracted towards the application of
artificial intelligence (AI) technology for analyzing and interpreting the biological or genetic …

Virtual screening emerged as an important tool in our quest to access novel drug like
compounds. There are a wide range of comparable and contrasting methodological …

Understanding the relationships between human genetic factors, the risks of developing
major diseases and the molecular basis of drug efficacy and toxicity is a fundamental …

The human cytochrome P450 (CYP) complement of heme-thiolate enzymes is reviewed. Of
the 57 individual P450s characterized in Homo sapiens thus far, it is apparent that …

The complexity of human biology requires a systems approach that uses computational
approaches to integrate different data types. Systems biology encompasses the complete …

Poor bioavailability of pesticides is one of the major bottlenecks in the development of
pesticides. Applications of the concept of pesticide-likeness have been widely accepted as …

Quantitative systems pharmacology (QSP) is a quantitative and mechanistic platform
describing the phenotypic interaction between drugs, biological networks, and disease …

Many of the drug candidates that fail in clinical trials are withdrawn because of unforeseen
effects of human metabolism, such as toxicity and unfavorable pharmacokinetic profiles …

Artificial intelligence, in particular machine learning (ML), has emerged as a key promising
pillar to overcome the high failure rate in drug development. Here, we present a primer on …

Statistical-learning methods have been developed for facilitating the prediction of
pharmacokinetic and toxicological properties of chemical agents. These methods employ a …