Because undesirable pharmacokinetics and toxicity are significant reasons for the failure of
drug development in the costly late stage, it has been widely recognized that drug ADMET …

Drug toxicity evaluation is an essential process of drug development as it is reportedly
responsible for the attrition of approximately 30% of drug candidates. The rapid increase in …

The Taverna workflow tool suite (http://www. taverna. org. uk) is designed to combine
distributed Web Services and/or local tools into complex analysis pipelines. These pipelines …

Open PHACTS is a public–private partnership between academia, publishers, small and
medium sized enterprises and pharmaceutical companies. The goal of the project is to …

Tests with vertebrates are an integral part of environmental hazard identification and risk
assessment of chemicals, plant protection products, pharmaceuticals, biocides, feed …

Covering: up to 2014 In silico approaches have been widely recognised to be useful for drug
discovery. Here, we consider the significance of available databases of medicinal plants and …

There is an abundance of information about drugs available on the Web. Data sources
range from medicinal chemistry results, over the impact of drugs on gene expression, to the …

lazar (lazy structure–activity relationships) is a modular framework for predictive toxicology.
Similar to the read across procedure in toxicological risk assessment, lazar creates local …

The discovery paradigm of drugs is rapidly growing due to advances in machine learning
(ML) and artificial intelligence (AI). This review covers myriad faces of AI and ML in drug …

Introduction: Computational methods have been widely applied to toxicology across
pharmaceutical, consumer product and environmental fields over the past decade. Progress …