Relevance of the Molecular Descriptors for the Modeling/Discrimination of Amphetamines Using Artificial Neural Network
作者： Dana Ortansa Dorohoi , Dan Gheorghe Dimitriu
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routledgehandbooks.com参考文章(30)
Daniela Babusca, Dana Ortansa Dorohoi, Solvent scales used to study the intermolecular interactions in binary solutions of two p-aryl-pyridazinium methylids Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. ,vol. 152, pp. 149- 155 ,(2016) , 10.1016/J.SAA.2015.07.006
Drug Abuse Handbook CRC Press. ,(1997) , 10.1201/9781420048292
Steluţa Gosav, Mirela Praisler, Mihail Lucian Birsa, Principal Component Analysis Coupled with Artificial Neural Networks—A Combined Technique Classifying Small Molecular Structures Using a Concatenated Spectral Database International Journal of Molecular Sciences. ,vol. 12, pp. 6668- 6684 ,(2011) , 10.3390/IJMS12106668
S. Gosav, M. Praisler, D.O. Dorohoi, G. Popa, Automated identification of novel amphetamines using a pure neural network and neural networks coupled with principal component analysis Journal of Molecular Structure. ,vol. 744-747, pp. 821- 825 ,(2005) , 10.1016/J.MOLSTRUC.2004.11.049
S. Gosav, M. Praisler, D.O. Dorohoi, ANN expert system screening for illicit amphetamines using molecular descriptors Journal of Molecular Structure. ,vol. 834, pp. 188- 194 ,(2007) , 10.1016/J.MOLSTRUC.2006.12.059
Dana-Ortansa Dorohoi, About the multiple linear regressions applied in studying the solvatochromic effects. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. ,vol. 75, ,(2010) , 10.1016/J.SAA.2009.12.046
Dana Ortansa Dorohoi, Dan Gheorghe Dimitriu, Mihaela Dimitriu, Valentina Closca, Specific interactions in N-ylid solutions, studied by nuclear magnetic resonance and electronic absorption spectroscopy Journal of Molecular Structure. ,vol. 1044, pp. 79- 86 ,(2013) , 10.1016/J.MOLSTRUC.2012.12.039
Dana Ortansa Dorohoi, Carmen Felicia Dascalu, Teodora Teslaru, Livia Vicenta Gheorghies, Electronic Absorption Spectra of Two 3-Aryl-pyridazinium-2,4,6-picryl-benzoyl-methylids Spectroscopy Letters. ,vol. 45, pp. 383- 391 ,(2012) , 10.1080/00387010.2012.666706
Takehiko Abe, Theory of Solvent Effects on Molecular Electronic Spectra. Frequency Shifts Bulletin of the Chemical Society of Japan. ,vol. 38, pp. 1314- 1318 ,(1965) , 10.1246/BCSJ.38.1314
Omar Deeb, Bahram Hemmateenejad, ANN-QSAR model of drug-binding to human serum albumin. Chemical Biology & Drug Design. ,vol. 70, pp. 19- 29 ,(2007) , 10.1111/J.1747-0285.2007.00528.X