The journal publishes computational and theoretical chemistry studies, with a strong emphasis on molecular modeling, simulation, and theoretical calculations. Research areas include drug discovery and design, exploring the potential of natural compounds and synthetic molecules as therapeutic agents for various diseases like cancer, diabetes, and infectious diseases. The journal also covers theoretical investigations of chemical reactivity, electronic structure, spectroscopic properties, and materials science applications, such as dyes for solar cells and corrosion inhibitors.
Based on the Think.Check.Submit framework by DOAJ, COPE & OASPA. All data from verified open sources.
Publication & Citation Trend
Articles published
Times cited
2019
2020
2021
2022
2023
2024
2025
2026
Source: OpenAlex · Note: citations accumulate over time so older years appear higher
SJR Quartile by Discipline
Scimago ranks this journal separately in each subject category — its quartile can differ by discipline.
BiochemistryQ4
Biochemistry, Genetics and Molecular Biology (miscellaneous)Q4
Computer Science ApplicationsQ4
Materials ChemistryQ4
Molecular MedicineQ4
Physical and Theoretical ChemistryQ4
Subject Classification
Scopus Categories
BiochemistryComputer Science ApplicationsBiochemistry, Genetics and Molecular Biology (miscellaneous)Physical and Theoretical ChemistryMaterials ChemistryMolecular Medicine
Research Topics (OpenAlex)
Computational Drug Discovery MethodsSynthesis and biological activityNonlinear Optical Materials ResearchFree Radicals and AntioxidantsSynthesis and Characterization of Heterocyclic CompoundsDiverse Scientific Research StudiesChemical Thermodynamics and Molecular StructureOrganic Chemistry Cycloaddition ReactionsAdvanced Chemical Physics StudiesConducting polymers and applications