Molecular docking is an established in silico structure-based method widely used in drug
discovery. Docking enables the identification of novel compounds of therapeutic interest …

Introduction In recent years, computational polypharmacology has gained significant
attention to study the promiscuous nature of drugs. Despite tremendous challenges …

Abstract Background Adverse drug reactions (ADRs) are unintended and harmful reactions
caused by normal uses of drugs. Predicting and preventing ADRs in the early stage of the …

Abstract Background Adverse drug reactions (ADRs) are an important concern in the
medication process and can pose a substantial economic burden for patients and hospitals …

To the Editor: Results from large-scale phenome-wide association studies (PheWAS) allow
association of genetic variants with a wide spectrum of human disorders and have provided …

Abstract Recently Artificial Intelligence (AI) has not only been used to diagnose the disease
but also to cure the disease. Researchers started using AI for drug discovery. Predicting the …

Only a small fraction of early drug programs progress to the market, due to safety and
efficacy failures, despite extensive efforts to predict safety. Characterizing the effect of …

Modern rational drug design not only deals with the search for ligands binding to interesting
and promising validated targets but also aims to identify the function and ligands of yet …

Monoclonal antibodies and their fragments have significantly changed the outcome of
cancer in the clinic, effectively inhibiting tumor cell proliferation, triggering antibody …

Approved drugs for sale must be effective and safe, implying that the drug's advantages
outweigh its known harmful side effects. Side effects (SE) of drugs are one of the common …