Chemometrics and Chemoinformatics Research Group

Mehdi Jalali Heravi



Department of Chemistry
Sharif University of Technology




Office: +98-21-66165315




Lab:    +98-21-66165329


Sweet moments in our group...


Adress: Chemistry Department, Sharif University of Technology, P.O. Box 11365-9516, Tehran, Iran


Honors  Publications  Books  courses  News


Ph.D: Surrey University, UK (1978)


M.Sc: Surrey University, UK (1975)


B.Sc: Ferdowsi University, Iran (1973)


Research Interests



Research Group

Experimental Design


Present Members:


The design of experiments is a discipline of Chemometrics that its purpose is to deliver as much information as possible with a minimum of experimental or financial effort. This information is then employed in the construction of sensible models of the objects under investigation.

Optimization of solid-phase microextarction and  ultrasonic solvent extraction  are some experimental design studies which were investigated in our laboratory.


Right to left: R.S. Moazeni, H. Ebrahimi, M. Asadollahi, Prof. M. Jalali, H. Parastar, A. Mani

see full size image





Group members projects:


Former group members:




 Ahmad Mani (PhD Student)


Dr. H. Saadi

Dr. S. Maesom


Quantitative Structure Property/Activity Relationship is the process by which chemical structure is quantitatively correlated with a well defined process, such as chemical property/biological activity.

We have been used linear and nonlinear techniques such as MLR, ANN, GA, K-PLS, ANFIS, CART and PSO for modeling of retention times and mobilities of various compounds and also biological activities of anti-HIV, anti-Alzheimer and anti-cancer drugs.

Rudabeh Sadat Moazeni (PhD Student)


Dr. A. Kyani

Dr. P. Shahbazikhah


Arafeh Bigdeli (PhD Student)


Dr. M. H. Fatemi



Dr. M. Asadollahi

F. Hakimi



Dr. A. Hassanzadeh





H. Paeenmahale




F. Darvizeh

Dr. Hadi Parastar


                                                                   Dr.  Heshmat Ebrahimi


M.Sc students:

 Mehdi Karimi


Rezvan Torkashvand,  Hossein Robat Jazi








 Books & books Chapter:


1- Artificial neural networks: Methods and applications


Multivariate Curve Resolution


2- Chemometrics methods in capillary electrophoresis. Edited by Grady Hanrahan & Frank A. Gomez, Part III chapter 14, Publisher: John-Wiely & Sons (2010).


Multivariate curve resolution techniques (MCR) can be used for the analysis of unresolved peaks. These techniques would resolve multi-component mixtures into a simple model consisting of a composition-weighted sum of signals of the pure components.

Analysis of essential oils of Iranian plants, fish oils and study of denaturation mechanism of hemoglobin carried out in our laboratory using Chemometric resolution techniques.

3- General Chemistry for Engineering, M. Jalali-Heravi. G. A. Parasfar, M.R.Saidi and M. Ghiaci, Esfahan University of Technology Publ., Esfahan, Iran, Fourth Edition 2002





 Courses taught:


Experimental design


New topics in analytical chemistry


Analytical spectroscopic methods


Laser in chemistry





Physical and chemical methods of separation




Molecular spectroscopy


Proteomics  is the systematic and comprehensive identification and quantification of proteins expressed from cells, tissues or organisms in terms of quality, structural modification, location within cells, activity and function.

Peptide mapping and modeling of peptide mobilities in different modes of capillary electrophoresis are examples of proteomics studies performed in our group.

Instrumental analysis


Analytical chemistry I & II


General chemistry




Executive Positions:

General director of assesment and promotion of SUT.


Department Chair, Sharif University of Technology, 1998-2002.


Research Vice-Chairman of Faculty of Science, University of Kerman, 1991-1992.




Department Chair, University of Kerman, 1985-1987.






Designed by: M. Asadollahi

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