QSAR Approaches in Contemporary Molecular Engineering
A special issue of Processes (ISSN 2227-9717). This special issue belongs to the section "Pharmaceutical Processes".
Deadline for manuscript submissions: 31 October 2026 | Viewed by 144
Special Issue Editors
Interests: food quality control; chromatography; chemometrics; molecular modeling
Special Issues, Collections and Topics in MDPI journals
Interests: food science; food processes modeling; chemometrics; chromatography
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
QSAR analysis has become an inevitable approach in modern molecular engineering. It helps in the selection of the most active compounds and the prediction of biological effects of newly synthesized or yet-to-be-synthesized compounds. Therefore, the QSAR analysis guides the design of novel compounds, saving financial resources and research time.
This Special Issue is focused on application of cutting-edge QSAR approaches in molecular engineering from the following aspects:
- Prediction and modeling of antibacterial, antifungal, and antiviral activity;
- Prediction and modeling of anticancer activity;
- Prediction and modeling of antioxidant activity;
- Prediction and modeling of anti-inflammatory activity;
- Molecular docking;
- Molecular dynamics;
- Pharmacophore design;
- Modeling of drug–drug interactions;
- QSAR-guided design of nanomaterials and biomaterials;
- Hybrid approaches combining QSAR with molecular descriptors;
- Predictive modeling for natural product derivatives;
- Application of artificial intelligence in QSAR processes.
Dr. Strahinja Kovačević
Dr. Milica Karadžić Banjac
Guest Editors
Manuscript Submission Information
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Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Processes is an international peer-reviewed open access semimonthly journal published by MDPI.
Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2400 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.
Keywords
- biologically active compounds
- molecular modeling
- QSAR
- artificial intelligence
- molecular docking
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