Owing to the dysregulation of protein kinase activity in many diseases including cancer, this
enzyme family has become one of the most important drug targets in the 21 st century. There …

Because genetic alterations including mutations, overexpression, translocations, and
dysregulation of protein kinases are involved in the pathogenesis of many illnesses, this …

Because undesirable pharmacokinetics and toxicity of candidate compounds are the main
reasons for the failure of drug development, it has been widely recognized that absorption …

Recently,'tangible'virtual libraries have made billions of molecules readily available.
Prioritizing these molecules for synthesis and testing demands computational approaches …

Highlights•ADMET modeling plays a pivotal part in drug discovery.•Chemoinformatics has
evolved into robust machine learning approaches.•Comprehensive web-based platforms for …

Because mutations, overexpression, and dysregulation of protein kinases play essential
roles in the pathogenesis of many illnesses, this enzyme family has become one of the most …

Highlights•Online resources facilitate in silico drug-likeness study.•Databases gathering
high quality and up to date data are essential for drug-likeness evaluation.•Web servers for …

Chemical absorption, distribution, metabolism, excretion, and toxicity (ADMET), play key
roles in drug discovery and development. A high-quality drug candidate should not only …

Owing to the dysregulation of protein kinase activity in many diseases including cancer, the
protein kinase enzyme family has become one of the most important drug targets in the 21st …

Two decades have passed since the rule of five ushered in the concept of “drug-like”
properties. Attempts to quantify, correlate, and categorize molecules based on Ro5 …