Publications

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1. Sato, Fernando ; Braga, Scheila F; dos Santos, Helio F; Galvao, Douglas S: Structure-Activity Relationship Investigation of Some New Tetracyclines by Electronic Index Methodology. In: arXiv preprint arXiv:0708.2931, 2007. (Type: Journal Article | Abstract | Links | BibTeX)
2. Troche, Karla S; Braga, Scheila F; Coluci, Vitor R; Galvao, Douglas S: Carcinogenic classification of polycyclic aromatic hydrocarbons through theoretical descriptors. In: International journal of quantum chemistry, 103 (5), pp. 718–730, 2005. (Type: Journal Article | Abstract | Links | BibTeX)
3. Coluci, Vitor Rafael ; Vendrame, Rosana ; Braga, RS ; Galvao, DS : Identifying relevant molecular descriptors related to carcinogenic activity of polycyclic aromatic hydrocarbons (PAHs) using pattern recognition methods. In: Journal of chemical information and computer sciences, 42 (6), pp. 1479–1489, 2002. (Type: Journal Article | Abstract | Links | BibTeX)
4. Vendrame, R; Coluci, VR ; Braga, RS ; Galvao, DS : Structure--activity relationship (SAR) studies of the tripos benchmark steroids. In: Journal of Molecular Structure: THEOCHEM, 619 (1), pp. 195–205, 2002. (Type: Journal Article | Abstract | Links | BibTeX)

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2007

4.Structure-Activity Relationship Investigation of Some New Tetracyclines by Electronic Index Methodology

Sato, Fernando ; Braga, Scheila F; dos Santos, Helio F; Galvao, Douglas S

Structure-Activity Relationship Investigation of Some New Tetracyclines by Electronic Index Methodology Journal Article

arXiv preprint arXiv:0708.2931, 2007.

Abstract | Links | BibTeX | Tags: Drug Design, Electronic Structure, Neural Networks, PCA/HCA, Tetracyclines, Theory of Electronic Indices

2005

3.Carcinogenic classification of polycyclic aromatic hydrocarbons through theoretical descriptors

Troche, Karla S; Braga, Scheila F; Coluci, Vitor R; Galvao, Douglas S

Carcinogenic classification of polycyclic aromatic hydrocarbons through theoretical descriptors Journal Article

International journal of quantum chemistry, 103 (5), pp. 718–730, 2005.

Abstract | Links | BibTeX | Tags: Carcinogenesis, HCA, Neural Networks, PCA, Polycyclic Aromatic Hydrocarbons (PAHs), Theory of Electronic Indices

2002

2.Identifying relevant molecular descriptors related to carcinogenic activity of polycyclic aromatic hydrocarbons (PAHs) using pattern recognition methods

Coluci, Vitor Rafael ; Vendrame, Rosana ; Braga, RS ; Galvao, DS

Identifying relevant molecular descriptors related to carcinogenic activity of polycyclic aromatic hydrocarbons (PAHs) using pattern recognition methods Journal Article

Journal of chemical information and computer sciences, 42 (6), pp. 1479–1489, 2002.

Abstract | Links | BibTeX | Tags: Carcinogenesis, Neural Networks, PCA/HCA, Polycyclic Aromatic Hydrocarbons (PAHs), Theory of Electronic Indices

1.Structure--activity relationship (SAR) studies of the tripos benchmark steroids

Vendrame, R; Coluci, VR ; Braga, RS ; Galvao, DS

Structure--activity relationship (SAR) studies of the tripos benchmark steroids Journal Article

Journal of Molecular Structure: THEOCHEM, 619 (1), pp. 195–205, 2002.

Abstract | Links | BibTeX | Tags: Drug Design, Electronic Structure, HCA/PCA, Neural Networks, Tripos

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