نوع مقاله : (W.O.S) ISI دارای رتبه
عنوان مقاله : Quantitative structure–property relationship study on the intercalation of anticancer drugs with ct-DNA
نویسندگان : Shahin Ahmadi, Mohammad Reza Khazaei & Azize Abdolmaleki
محل چاپ یا ارائه :  Springer Science+Business Media New York 2013 Medicinal Chemistry Research
سال انتشار : 2013
چکیده مقاله :
نوع مقاله : (W.O.S) ISI دارای رتبه
عنوان مقاله : Application of self organizing maps and GA-MLR for the estimation of stability constant of 18-crown-6 ether derivatives with sodium cation
نویسندگان : Shahin Ahmadi, Elahe Babaee, Mohammad Reza khazaei
محل چاپ یا ارائه : Springer Science+Business Media Dordrecht 2013 J Incl Phenom Macrocycl Chem
سال انتشار : 2013
چکیده مقاله :
نوع مقاله : (W.O.S) ISI دارای رتبه
عنوان مقاله : A new daily weather generator to preserve extremes and low-frequency variability
نویسندگان : Mohammad Reza Khazaei & Shahin Ahmadi & Bahram Saghafian & Bagher Zahabiyoun
محل چاپ یا ارائه : Climatic Change (2013) 119:631–645
سال انتشار : 2013
چکیده مقاله :
نوع مقاله : (W.O.S) ISI دارای رتبه
عنوان مقاله : Development of an Automatic Calibration Tool Using Genetic Algorithm for the ARNO Conceptual Rainfall-Runoff Model
نویسندگان : Mohammad Reza Khazaei • Bagher Zahabiyoun •Bahram Saghafian • Shahin Ahmadi
محل چاپ یا ارائه : Arab J Sci Eng
سال انتشار : 2013
چکیده مقاله :
نوع مقاله : (W.O.S) ISI دارای رتبه
عنوان مقاله : Application of GA-MLR method in QSPR modeling of stability constants of diverse 15-crown-5 complexes with sodium cation
نویسندگان : Shahin Ahmadi
محل چاپ یا ارائه : J Incl Phenom Macrocycl Chem (2012) 74:57–66
سال انتشار : 2012
چکیده مقاله :
نوع مقاله : (W.O.S) ISI دارای رتبه
عنوان مقاله : The Dimerization Study of Some Cationic Monomethine Cyanine Dyes by Chemometrics Method
نویسندگان : Shahin Ahmadi, T. G. Deligeorgiev, A. Vasilev, and M. Kubista
محل چاپ یا ارائه : Russian Journal of Physical Chemistry A, 2012, Vol. 86, No. 13, pp. 1974–1981
سال انتشار : 2012
چکیده مقاله :
نوع مقاله : خارجی غیر ISI معتبر
عنوان مقاله : A QSPR Study of Association Constants of Macrocycles toward Sodium Cation
نویسندگان : Shahin Ahmadi
محل چاپ یا ارائه : Macroheterocycles 2012 5(1) 23-31
سال انتشار : 2012
چکیده مقاله :
نوع مقاله : ISI listed
عنوان مقاله : QSPR Modeling of Stability Constants of the Li-Hemispherands Complexes Using MLR: A Theoretical Host-Guest Study
نویسندگان : Jahan B. Ghasemi, Shahin Ahmadi, d Mahnaz Ayati
محل چاپ یا ارائه : Macroheterocycles 2010 3(4) 234-242
سال انتشار : 2010
چکیده مقاله :
نوع مقاله : (W.O.S) ISI دارای رتبه
عنوان مقاله : A quantitative structure–retention relationship study for prediction of chromatographic relative retention time of chlorinated monoterpenes
نویسندگان : Jahan B. Ghasemi • Sا. Ahmadi • S. D. Brown
محل چاپ یا ارائه : Environ Chem Lett (2011) 9:87–96
سال انتشار : 2011
چکیده مقاله :
نوع مقاله : (W.O.S) ISI دارای رتبه
عنوان مقاله : Spectroscopic Characterization of Thiazole Orange-3 DNA Interaction
نویسندگان : J. Ghasemi, Sh. Ahmadi, A. I. Ahmad, S. Ghobadi
محل چاپ یا ارائه : Appl Biochem Biotechnol (2008) 149:9–22
سال انتشار : 2008
چکیده مقاله :
نوع مقاله : خارجی غیر ISI معتبر
عنوان مقاله : COMBINATION OF GENETIC ALGORITHM AND PARTIAL LEAST SQUARES FOR CLOUD POINT PREDICTION OF NONIONIC SURFACTANTS FROM MOLECULAR STRUCTURES
نویسندگان : Jahanbakhsh GHASEMI, Shahin AHMADI
محل چاپ یا ارائه : Annali di Chimica, 97, 2007, by Società Chimica Italiana
سال انتشار : 2007
چکیده مقاله :
نوع مقاله : (W.O.S) ISI دارای رتبه
عنوان مقاله : Simultaneous determination of copper, nickel, cobalt and zinc using zincon as a metallochromic indicator with partial least squares
نویسندگان : J. Ghasemi, Sh. Ahmadi, K. Torkestani
محل چاپ یا ارائه : Analytica Chimica Acta 487 (2003) 181–188
سال انتشار : 2003
چکیده مقاله :
نوع مقاله : (W.O.S) ISI دارای رتبه
عنوان مقاله : Determination of Acidity Constants of 4-(2-Pyridylazo)resorcinol in Binary Acetonitrile + Water Mixtures
نویسندگان : Jahanbakhsh Ghasemi, Shahin Ahmadi, Mikael Kubista, and Amin Forootan
محل چاپ یا ارائه : Journal of Chemical and Engineering Data, Vol. 48, No. 5, 2003
سال انتشار : 2003
چکیده مقاله :
نوع مقاله : (W.O.S) ISI دارای رتبه
عنوان مقاله : Application of GA-MLR for QSAR modeling of the arylthioindole class of tubulin polymerization inhibitors as anticancer agents
نویسندگان : Shahin Ahmadi and Elnaz habibpour
محل چاپ یا ارائه : Anti-Cancer Agents in Medicinal Chemistry
سال انتشار : 2016
چکیده مقاله : Abstract: The GA-MLR method is a potent search method based on the evolution of biological systems for QSAR modeling. In the current study we have studied on the QSAR modeling of some arylthioindoles derivatives which obtained by replacing the 2-alkoxycarbonyl group with a bioisosteric five- membered heterocycle nucleus. The general hypothesis was that these derivatives might be useful for designing and synthesizing the anti-cancer drugs, since they are a class of powerful inhibitors of tubulin polymerization and cancer cell growth. The data set has been divided to the training and test subsets for external validation of QSAR model using random splitting method. The random splitting of training subset (80% of data) performed 20 times and the remaining compounds used as external validation subset. The GA-MLR and S-MLR methods have been applied as variable selection methods on 20 random training subsets. The best multivariate linear model based on Q_cal^2and Q_test^2 values consist of four parameters in both GA-MLR and S-MLR methods and the Q_test^2 values were 0.7242 and 0.3215 for GA-MLR and S-MLR methods, respectively. The results indicate that GA-MLR method is more powerful method for variable selecting in comparison with S-MLR method.
نوع مقاله : خارجی غیر ISI معتبر
عنوان مقاله : Genetic Algorithm and Self-Organizing Maps for QSPR Study of Some N-aryl Derivatives as Butyrylcholinesterase Inhibitors
نویسندگان : Shahin ahmadi and Soroush Ganji
محل چاپ یا ارائه : Current Drug Discovery Technologies
سال انتشار : 2016
چکیده مقاله : Abstract: The data set splitting and feature selection are two fundamental steps in QSPR studies. In this contribution we have studied on the QSPR modeling of 88 N-aryl derivatives as butyrylcholinesterase inhibitors. At first the data set have been divided to the training and test set for external validation of QSPR model using self-organizing maps and random splitting. The random splitting of training subset (80% of data) performed 20 times and the remaining compounds used as external validation subset. The GA-MLR and S-MLR methods have been applied as variable selection methods on 20 random training and SOM sets. From the 1145 descriptors generated by Dragon program, we selected only five descriptors by preprocessing and then applying the GA- MLR method on data set. The external validation statistics reported for each model served as a basis for the final comparison. The results indicate that SOM data splitting and GA-MLR method can be employed as more reliable methods to develop a predictive QSPR models. According to the SOM data splitting and GA-MLR results, the test set selected by SOM separately span the whole descriptor and property space comparison to the RS and the variable selection with GA-MLR is useful for finding of global minima when response surface has many local minima. The most significant QSPR model can be useful in the design of new N-aryl derivatives as butyrylcholinesterase inhibitors compounds with improved inhibition catalytic activity.