Drug development is one of the most significant processes in the pharmaceutical industry.
Various computational methods have dramatically reduced the time and cost of drug …

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 …

Neurological disorders significantly outnumber diseases in other therapeutic areas.
However, developing drugs for central nervous system (CNS) disorders remains the most …

The use and production of chemical compounds are subjected to strong legislative pressure.
Chemical toxicity and adverse effects derived from exposure to chemicals are key regulatory …

Introduction: Drug discovery is the process through which potential new compounds are
identified by means of biology, chemistry, and pharmacology. Due to the high complexity of …

Background: The novel coronavirus SARS-CoV-2 has severely affected the health and
economy of several countries. Multiple studies are in progress to design novel therapeutics …

Immune evasion and metabolism reprogramming have been regarded as two vital hallmarks
of the mechanism of carcinogenesis. Thus, targeting the immune microenvironment and the …

Antimicrobial peptides (AMPs) have been identified as a potential new class of anti-
infectives for drug development. There are a lot of computational methods that try to predict …

CNS disorders are indications with a very high unmet medical needs, relatively smaller
number of available drugs, and a subpar satisfaction level among patients and caregiver …

Artificial intelligence (AI) renders cutting-edge applications in diverse sectors of society. Due
to substantial progress in high-performance computing, the development of superior …