Neurological disorders such as Alzheimer’s disease, Parkinson’s disease, epilepsy, depression, dementia, etc. are major diseases, and disorders affecting humans. The rapid increase in morbidity, drug resistance, and side-effects of existing drugs force scientists worldwide to research less harmful drugs. Drugs targeting the nervous system, blood-brain barrier, and accumulation of drugs in the brain are other important concerns for scientists. Another burden and challenge are to treat and manage metabolic diseases like diabetes, obesity, cancer, cardiovascular diseases, etc.

For successful drug development, the molecules need to undergo rigorous clinical trial procedures which take time and major investment. In this case, cheminformatics play a very critical role in reducing both time and investment.

The aim of this Special Issue is to solicit original research articles in the field of neurological disorders. We highly encourage submissions that highlight the applications of cheminformatics. Review articles discussing the state of the art are also welcome.

Potential topics include but are not limited to the following:

• Quantitative structure-activity relationship (QSAR) studies for the design of drugs against neurological/metabolic disorders
• Docking studies for the design of drugs against neurological/metabolic disorders
• Molecular dynamic studies for the design of drugs against neurological/metabolic disorders
• Quantum chemical studies for the design of drugs against neurological/metabolic disorders
• Molecular mechanics studies for the design of drugs against neurological/metabolic disorders
• Absorption, distribution, metabolism, excretion, and toxicology (ADMET) predictions for drugs effective against neurological/metabolic disorders
• Translational informatics adapted for studies involving neurological/metabolic disorders
• Assessment of transcriptomic data for analyzing the regulation of genes related to neurological/metabolic disorders