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Mathematical chemistry and chemoinformatics : structure generation, elucidation, and quantitative structure-property relationships / / Adalbert Kerber [and four others]
| Mathematical chemistry and chemoinformatics : structure generation, elucidation, and quantitative structure-property relationships / / Adalbert Kerber [and four others] |
| Autore | Kerber Adalbert |
| Pubbl/distr/stampa | Berlin : , : Walter de Gruyter GmbH & Co., KG, , [2014] |
| Descrizione fisica | 1 online resource (521 p.) |
| Disciplina | 542/.85 |
| Soggetto topico |
Cheminformatics
Chemistry - Mathematics |
| Soggetto non controllato |
Chemoinformatics
Combinatorial Chemistry Mass Spectra Classification Mass Spectrometry Mathematical Chemistry Molecular Descriptor Molecular Graph Molecular Structure Elucidation Molecular Structure Generation Quantitative Structure-Property Relationship |
| Classificazione | VE 5300 |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Front matter -- Preface -- Contents -- List of figures -- List of figures -- List of symbols -- Introduction and outline -- 1. Basics of graphs and molecular graphs -- 2. Advanced properties of molecular graphs -- 3. Chirality -- 4. Stereoisomers -- 5. Molecular structure generation -- 6. Supervised statistical learning -- 7. Quantitative structure-property relationships -- 8. Molecular structure elucidation -- 9. Case studies of CASE -- A. Lists of molecular descriptors -- B. Substructures for MS classifiers -- C. Molecular formulas by mass and ion type -- D. Isomers by mass and molecular formula -- Bibliography -- Index |
| Record Nr. | UNINA-9910787602303321 |
Kerber Adalbert
|
||
| Berlin : , : Walter de Gruyter GmbH & Co., KG, , [2014] | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Mathematical chemistry and chemoinformatics : structure generation, elucidation, and quantitative structure-property relationships / / Adalbert Kerber [and four others]
| Mathematical chemistry and chemoinformatics : structure generation, elucidation, and quantitative structure-property relationships / / Adalbert Kerber [and four others] |
| Autore | Kerber Adalbert |
| Pubbl/distr/stampa | Berlin : , : Walter de Gruyter GmbH & Co., KG, , [2014] |
| Descrizione fisica | 1 online resource (521 p.) |
| Disciplina | 542/.85 |
| Soggetto topico |
Cheminformatics
Chemistry - Mathematics |
| Soggetto non controllato |
Chemoinformatics
Combinatorial Chemistry Mass Spectra Classification Mass Spectrometry Mathematical Chemistry Molecular Descriptor Molecular Graph Molecular Structure Elucidation Molecular Structure Generation Quantitative Structure-Property Relationship |
| Classificazione | VE 5300 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Front matter -- Preface -- Contents -- List of figures -- List of figures -- List of symbols -- Introduction and outline -- 1. Basics of graphs and molecular graphs -- 2. Advanced properties of molecular graphs -- 3. Chirality -- 4. Stereoisomers -- 5. Molecular structure generation -- 6. Supervised statistical learning -- 7. Quantitative structure-property relationships -- 8. Molecular structure elucidation -- 9. Case studies of CASE -- A. Lists of molecular descriptors -- B. Substructures for MS classifiers -- C. Molecular formulas by mass and ion type -- D. Isomers by mass and molecular formula -- Bibliography -- Index |
| Record Nr. | UNINA-9910824359903321 |
|
Kerber Adalbert
|
||
| Berlin : , : Walter de Gruyter GmbH & Co., KG, , [2014] | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||