A neural networks study of quinone compounds with trypanocidal activity

[1]  V. Pasa,et al.  Use of Principal Component Analysis (PCA) and Linear Discriminant Analysis (LDA) in Gas Chromatographic (GC) Data in the Investigation of Gasoline Adulteration , 2007 .

[2]  Liliana M. Pacureanu,et al.  QSAR study of antiplatelet agents. , 2006, Bioorganic & medicinal chemistry.

[3]  A. Oliveira,et al.  New cytotoxic furoquinones obtained from terpenyl-1,4-naphthoquinones and 1,4-anthracenediones. , 2006, Bioorganic & medicinal chemistry.

[4]  M. Karelson,et al.  QSAR modeling of anti-invasive activity of organic compounds using structural descriptors. , 2006, Bioorganic & medicinal chemistry.

[5]  Ming Zhou,et al.  Design, synthesis, and biochemical evaluation of novel cruzain inhibitors with potential application in the treatment of Chagas' disease. , 2006, Bioorganic & medicinal chemistry letters.

[6]  Peter Ertl,et al.  Applications of Self-Organizing Neural Networks in Virtual Screening and Diversity Selection , 2006, J. Chem. Inf. Model..

[7]  Federico Marini,et al.  Class-modeling using Kohonen artificial neural networks , 2005 .

[8]  A. D. da Silva,et al.  A structure-activity relationship study of quinone compounds with trypanocidal activity. , 2005, European journal of medicinal chemistry.

[9]  Junko Kawakami,et al.  Application of a self-organizing map to quantitative structure-activity relationship analysis of carboquinone and benzodiazepine. , 2004, Chemical & pharmaceutical bulletin.

[10]  Frank R. Burden,et al.  Bayesian neural nets for modeling in drug discovery , 2004 .

[11]  A. Syroeshkin,et al.  Therapeutic Characteristics of Drugs Predicted Using Quantitative Structure – Property Relationships: Application to Nonsteroidal Antiinflammatory Drugs , 2004, Pharmaceutical Chemistry Journal.

[12]  R. Schirmer,et al.  The Mechanism of High Mr Thioredoxin Reductase from Drosophila melanogaster* , 2003, Journal of Biological Chemistry.

[13]  D. Gonzalez-Arjona,et al.  Non-linear QSAR modeling by using multilayer perceptron feedforward neural networks trained by back-propagation. , 2002, Talanta.

[14]  Douglas S. Galvao,et al.  Identifying carcinogenic activity of methylated polycyclic aromatic hydrocarbons (PAHs) , 1999 .

[15]  D. Galvão,et al.  Structure–activity study of indolequinones bioreductive alkylating agents , 1999 .

[16]  G. Rothenberg,et al.  Application of pertubation theory to free-radical benzylic and allylic oxidation of unconjugated π-systems , 1999 .

[17]  F. Tureček Proton Affinity of Dimethyl Sulfoxide and Relative Stabilities of C2H6OS Molecules and C2H7OS+ Ions. A Comparative G2(MP2) ab Initio and Density Functional Theory Study , 1998 .

[18]  A. Oliveira,et al.  Trypanocidal activity and redox potential of heterocyclic- and 2-hydroxy-naphthoquinones , 1997 .

[19]  Luhua Lai,et al.  A New Atom-Additive Method for Calculating Partition Coefficients , 1997, J. Chem. Inf. Comput. Sci..

[20]  Ranbir Singh,et al.  J. Mol. Struct. (Theochem) , 1996 .

[21]  A. A. El-Azhary,et al.  Comparison between Optimized Geometries and Vibrational Frequencies Calculated by the DFT Methods , 1996 .

[22]  Galvão,et al.  Theoretical Approach to Identify Carcinogenic Activity of Polycyclic Aromatic Hydrocarbons. , 1996, Physical review letters.

[23]  A. Becke Density-functional thermochemistry. III. The role of exact exchange , 1993 .

[24]  C. Breneman,et al.  Determining atom‐centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis , 1990 .

[25]  E. Chiari,et al.  Synthesis and trypanocidal activity of ent-kaurane glycosides. , 2007, Bioorganic & medicinal chemistry.

[26]  Julio Caballero,et al.  Modeling of activity of cyclic urea HIV-1 protease inhibitors using regularized-artificial neural networks. , 2006, Bioorganic & medicinal chemistry.

[27]  H. Kubinyi,et al.  3D QSAR in drug design. , 2002 .

[28]  Matthew T. Hancock,et al.  Polyamines with N-(3-phenylpropyl) substituents are effective competitive inhibitors of trypanothione reductase and trypanocidal agents. , 2001, Bioorganic & medicinal chemistry letters.