University Sétif 1 FERHAT ABBAS Faculty of Sciences
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Auteur ZIADI Ratiba |
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QSAR Study of Bis-1,2- Benzisoselenazol-3(2H)-ones: Organoselenium Compounds for Cancer Therapy / ZIADI Ratiba
Titre : QSAR Study of Bis-1,2- Benzisoselenazol-3(2H)-ones: Organoselenium Compounds for Cancer Therapy Type de document : texte imprimé Auteurs : ZIADI Ratiba, Auteur ; D. Hannachi, Directeur de thèse Editeur : Setif:UFA Année de publication : 2018 Importance : 1 vol (32 f.) Format : 29cm Langues : Français (fre) Catégories : Thèses & Mémoires:Chimie Index. décimale : 541 - Chimie physique,chimie inorganique Note de contenu : Sommaire
Bibliographic Overview
7
PART I: QSAR approach 7
1- Definition 8
2- Molecular descriptors 8
3- Properties of a molecular descriptor 8
4- Building QSAR model 9
4. 1- Multiple linear regression 9
4. 2-Coefficient of determination 9
4. 3-The Coefficient of Determination Adjusted noted 10
4. 4-Validation of models 10
4. 4. 1-Internal validation 10
4. 4. 2- External validation 11
4. 5- Randomization test 12
4. 6- Quik Rule 12
4. 7-Application Area (DA) 13
5- QSAR & pharmaceutical chemical 13
6- References 14
PART II: Thioredoxin 15
1- Thioredoxin system 16
2-Trx Isoforms 16
3-Thioredoxin Reductase 16
4-The structure of thioredoxin 17
5-Catalytic mechanism of Mammalian TrxR 18
ii
6-Thioredoxin and Cancer 18
7- Inhibitors of TrxR 19
8- References 20
Chapter 2:
Results and discussion
22
1- Methods and materials 23
1.1- Computational methods 23
1.2- Data set for analysis 24
2- Development of QSAR Model 26
2.1- Method of analysis: 26
2.2- Validation of the developed models 26
3- Results and discussion 26
4- The Applicability Domain 28
5- Randomization test 29
6- ReferenceCôte titre : MACH/0065 QSAR Study of Bis-1,2- Benzisoselenazol-3(2H)-ones: Organoselenium Compounds for Cancer Therapy [texte imprimé] / ZIADI Ratiba, Auteur ; D. Hannachi, Directeur de thèse . - [S.l.] : Setif:UFA, 2018 . - 1 vol (32 f.) ; 29cm.
Langues : Français (fre)
Catégories : Thèses & Mémoires:Chimie Index. décimale : 541 - Chimie physique,chimie inorganique Note de contenu : Sommaire
Bibliographic Overview
7
PART I: QSAR approach 7
1- Definition 8
2- Molecular descriptors 8
3- Properties of a molecular descriptor 8
4- Building QSAR model 9
4. 1- Multiple linear regression 9
4. 2-Coefficient of determination 9
4. 3-The Coefficient of Determination Adjusted noted 10
4. 4-Validation of models 10
4. 4. 1-Internal validation 10
4. 4. 2- External validation 11
4. 5- Randomization test 12
4. 6- Quik Rule 12
4. 7-Application Area (DA) 13
5- QSAR & pharmaceutical chemical 13
6- References 14
PART II: Thioredoxin 15
1- Thioredoxin system 16
2-Trx Isoforms 16
3-Thioredoxin Reductase 16
4-The structure of thioredoxin 17
5-Catalytic mechanism of Mammalian TrxR 18
ii
6-Thioredoxin and Cancer 18
7- Inhibitors of TrxR 19
8- References 20
Chapter 2:
Results and discussion
22
1- Methods and materials 23
1.1- Computational methods 23
1.2- Data set for analysis 24
2- Development of QSAR Model 26
2.1- Method of analysis: 26
2.2- Validation of the developed models 26
3- Results and discussion 26
4- The Applicability Domain 28
5- Randomization test 29
6- ReferenceCôte titre : MACH/0065 Exemplaires (1)
Code-barres Cote Support Localisation Section Disponibilité MACH/0065 MACH/0065 Mémoire Bibliothéque des sciences Français Disponible
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