Prediction of Solubility of Fullerene C60 in Various Organic Solvents by Genetic Algorithm-Multiple Linear Regression
暂无分享,去创建一个
Eslam Pourbasheer | Mohammad Reza Ganjali | Parviz Norouzi | Siavash Riahi | M. Ganjali | P. Norouzi | S. Riahi | E. Pourbasheer
[1] E. Forgács,et al. Three-dimensional principal component analysis employed for the study of the β-glucosidase production of Lentinus edodes strains , 2001 .
[2] A. Vul. Some Aspects of Fullerene Application , 2002 .
[3] Peter C. Jurs,et al. Prediction of C60 Solubilities from Solvent Molecular Structures , 2001, J. Chem. Inf. Comput. Sci..
[4] M. Korobov,et al. Solubility of the Fullerenes , 2010 .
[5] M. Ganjali,et al. QSAR Study of 2‐(1‐Propylpiperidin‐4‐yl)‐1H‐Benzimidazole‐4‐Carboxamide as PARP Inhibitors for Treatment of Cancer , 2008, Chemical biology & drug design.
[6] M. Katz. Validation of models , 2006 .
[7] Nina Nikolova-Jeliazkova,et al. QSAR Applicability Domain Estimation by Projection of the Training Set in Descriptor Space: A Review , 2005, Alternatives to laboratory animals : ATLA.
[8] Scott D. Kahn,et al. Current Status of Methods for Defining the Applicability Domain of (Quantitative) Structure-Activity Relationships , 2005, Alternatives to laboratory animals : ATLA.
[9] M. Ganjali,et al. Investigation of different linear and nonlinear chemometric methods for modeling of retention index of essential oil components: concerns to support vector machine. , 2009, Journal of hazardous materials.
[10] J. Doucet,et al. QSAR models for 2-amino-6-arylsulfonylbenzonitriles and congeners HIV-1 reverse transcriptase inhibitors based on linear and nonlinear regression methods. , 2009, European journal of medicinal chemistry.
[11] Riccardo Leardi,et al. Genetic Algorithms as a Tool for Wavelength Selection in Multivariate Calibration , 1995 .
[12] R. Natarajan,et al. QSPR Modeling for Solubility of Fullerene (C60) in Organic Solvents , 2001, J. Chem. Inf. Comput. Sci..
[13] M. Ganjali,et al. QSPR Study of the Distribution Coefficient Property for Hydantoin and 5‐Arylidene Derivatives. A Genetic Algorithm Application for the Variable Selection in the MLR and PLS Methods , 2008 .
[14] Hugh M. Cartwright,et al. Applications of artificial intelligence in chemistry , 1993 .
[15] M. Jalali-Heravi,et al. QSAR study of heparanase inhibitors activity using artificial neural networks and Levenberg-Marquardt algorithm. , 2008, European journal of medicinal chemistry.
[16] Bahram Hemmateenejad,et al. ANN‐QSAR Model of Drug‐binding to Human Serum Albumin , 2007, Chemical biology & drug design.
[17] A. Habibi-Yangjeh,et al. Prediction of basicity constants of various pyridines in aqueous solution using a principal component-genetic algorithm-artificial neural network , 2008 .
[18] U Depczynski,et al. Genetic algorithms applied to the selection of factors in principal component regression , 2000 .
[19] Bjørn K. Alsberg,et al. A new 3D molecular structure representation using quantum topology with application to structure–property relationships , 2000 .
[20] Roberto Todeschini,et al. Handbook of Molecular Descriptors , 2002 .
[21] A. Katritzky,et al. QSPR correlation and predictions of GC retention indexes for methyl-branched hydrocarbons produced by insects. , 2000, Analytical chemistry.
[22] D. Colbert,et al. Fullerene nanobutes for molecular electronics , 1999 .
[23] Ruisheng Zhang,et al. Radial basis function neural network-based QSPR for the prediction of critical temperature , 2002 .
[24] S. Olsen,et al. Limits and prospects of the "incremental approach" and the European legislation on the management of risks related to nanomaterials. , 2007, Regulatory toxicology and pharmacology : RTP.
[25] P. Scharff,et al. Biophysical studies of fullerene-based composite for bio-nanotechnology , 2003 .
[26] Eslam Pourbasheer,et al. Application of genetic algorithm-support vector machine (GA-SVM) for prediction of BK-channels activity. , 2009, European journal of medicinal chemistry.
[27] A. Tropsha,et al. Beware of q2! , 2002, Journal of molecular graphics & modelling.
[28] Biao Chen,et al. A QSPR treatment for the thermal stabilities of second-order NLO chromophore molecules , 2005, Journal of molecular modeling.
[30] Eslam Pourbasheer,et al. Support Vector Machine‐Based Quantitative Structure–Activity Relationship Study of Cholesteryl Ester Transfer Protein Inhibitors , 2009, Chemical biology & drug design.
[31] Paola Gramatica,et al. The Importance of Being Earnest: Validation is the Absolute Essential for Successful Application and Interpretation of QSPR Models , 2003 .
[32] Roberto Todeschini,et al. Structure/Response Correlations and Similarity/Diversity Analysis by GETAWAY Descriptors, 1. Theory of the Novel 3D Molecular Descriptors , 2002, J. Chem. Inf. Comput. Sci..
[33] A. Habibi-Yangjeh,et al. Prediction of Melting Point for Drug-like Compounds Using Principal Component-Genetic Algorithm-Artificial Neural Network , 2008 .
[34] Qi-jin Zhang,et al. A Linear QSPR Model for Prediction of Maximum Absorption Wavelength of Second‐order NLO Chromophores , 2006 .
[35] M. Ganjali,et al. Exploring QSARs for Antiviral Activity of 4‐Alkylamino‐6‐(2‐hydroxyethyl)‐2‐methylthiopyrimidines by Support Vector Machine , 2008, Chemical biology & drug design.
[36] J. Leszczynski,et al. QSPR study on solubility of fullerene C60 in organic solvents using optimal descriptors calculated with SMILES , 2007 .
[37] Eslam Pourbasheer,et al. QSRR Study of GC Retention Indices of Essential-Oil Compounds by Multiple Linear Regression with a Genetic Algorithm , 2008 .
[38] Lourdes Santana,et al. On the applicability of QSAR for recognition of miRNA bioorganic structures at early stages of organism and cell development: embryo and stem cells. , 2007, Bioorganic & medicinal chemistry.
[39] Dana Martin,et al. QSPR modeling of solubility of polyaromatic hydrocarbons and fullerene in 1-octanol and n-heptane. , 2007, The journal of physical chemistry. B.
[40] Zhide Hu,et al. A novel quantitative structure-activity relationship method to predict the affinities of MT3 melatonin binding site. , 2008, European journal of medicinal chemistry.
[41] Corwin Hansch,et al. Comprehensive medicinal chemistry : the rational design, mechanistic study & therapeutic application of chemical compounds , 1990 .
[42] Eslam Pourbasheer,et al. QSAR study on melanocortin-4 receptors by support vector machine. , 2010, European journal of medicinal chemistry.
[43] John H. Holland,et al. Adaptation in Natural and Artificial Systems: An Introductory Analysis with Applications to Biology, Control, and Artificial Intelligence , 1992 .