Drug-induced Diseases: Computational Approaches for Averting It
Submission Deadline: 10 Dec 2021
Guest Editor
Special Issue Information
Dear Colleagues,
The aim of the special issue "Drug-induced Diseases: computational approaches for averting it" is the consolidation of activities of experts in the field of bioscience with activities of experts in the field of computational chemistry.
The articles in this special issue should cover the important aspects around bioscience including supplying novel ideas how use the computational approaches. Interrelations of bioscience with computational chemistry give the important results applied in the practical work of medicine, biology, theoretical chemistry, and biochemistry. In silico analysis is a widely used tool for improving knowledge in the fields of Drug Discovery. Besides, it is encouraged the following: the selection of promising molecules, development of new computational approaches for drug discovery, and drug-toxicity assessment, which can be applied in medicinal chemistry and biosciences.
Dr. Alla P. Toropova
Guest Editor
Keywords
- Drug Discovery
- Drug Design
- Monte Carlo Method
- Modeling for Risk Assessment
- Machine Learning
- QSAR/QSPR Modelling
- Molecular Docking
- Medicinal Chemistry
- Theoretical Chemistry
- Biochemistry
Published Paper (1)
QSAR based on hybrid optimal descriptors as a tool to predict antibacterial activity against Staphylococcus aureus
Front. Biosci. (Landmark Ed) 2022, 27(4), 112; https://doi.org/10.31083/j.fbl2704112
(This article belongs to the Special Issue Drug-induced Diseases: Computational Approaches for Averting It)
