Publications

Show all

1.

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

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

In: arXiv preprint arXiv:0708.2931, 2007.

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 Journal Article

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

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 Journal Article

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

Abstract | Links | BibTeX

4.

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

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

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

Abstract | Links | BibTeX

Show all

2007

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

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

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

In: 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

In: 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

In: 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

In: 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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