Artificial intelligence (AI), and, in particular, deep learning as a subcategory of AI, provides
opportunities for the discovery and development of innovative drugs. Various machine …

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 …

Abstract Summary admetSAR was developed as a comprehensive source and free tool for
the prediction of chemical ADMET properties. Since its first release in 2012 containing 27 …

Advancement in the field of computational research has made it possible for the in silico
methods to offer significant benefits to both regulatory needs and requirements for risk …

Current pharmaceutical research and development (R&D) is a high-risk investment which is
usually faced with some unexpected even disastrous failures in different stages of drug …

Natural products continue to be major sources of bioactive compounds and drug candidates
not only because of their unique chemical structures but also because of their overall …

Drug discovery and development affects various aspects of human health and dramatically
impacts the pharmaceutical market. However, investments in a new drug often go …

Recently, scientists developed a powerful strategy called “one drug-multiple targets” to
discover vital and unique therapies to fight the most challenging diseases. Novel derivatives …

In both academia and the pharmaceutical industry, large-scale assays for drug discovery are
expensive and often impractical, particularly for the increasingly important physiologically …

This review seeks to provide a timely survey of the scope and limitations of cheminformatics
methods in natural product‐based drug discovery. Following an overview of data resources …