q-RASAR : A Path to Predictive Cheminformatics / / by Kunal Roy, Arkaprava Banerjee
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| Autore: |
Roy Kunal <1971->
|
| Titolo: |
q-RASAR : A Path to Predictive Cheminformatics / / by Kunal Roy, Arkaprava Banerjee
|
| Pubblicazione: | Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2024 |
| Edizione: | 1st ed. 2024. |
| Descrizione fisica: | 1 online resource (99 pages) |
| Disciplina: | 542.85 |
| Soggetto topico: | Chemistry - Data processing |
| Quantum theory | |
| Computer simulation | |
| Molecules - Models | |
| Computational Chemistry | |
| Quantum Simulations | |
| Molecular Modelling | |
| Persona (resp. second.): | BanerjeeArkaprava |
| Nota di bibliografia: | Includes bibliographical references. |
| Nota di contenuto: | Chemical Information and Molecular Similarity -- Read-across and Quantitative Structure-activity Relationships (QSAR) for Making Predictions and Data Gap-Filling -- Quantitative Read-Across (q-RA) and Quantitative Read-Across Structure-Activity Relationships (q-RASAR) – Genesis and Model Development -- Tools, Applications, and Case Studies (q-RA and q-RASAR) -- Future Prospects. |
| Sommario/riassunto: | This brief offers an introduction to the fascinating new field of quantitative read-across structure-activity relationships (q-RASAR) as a cheminformatics modeling approach in the background of quantitative structure-activity relationships (QSAR) and read-across (RA) as data gap-filling methods. It discusses the genesis and model development of q-RASAR models demonstrating practical examples. It also showcases successful case studies on the application of q-RASAR modeling in medicinal chemistry, predictive toxicology, and materials sciences. The book also includes the tools used for q-RASAR model development for new users. It is a valuable resource for researchers and students interested in grasping the development algorithm of q-RASAR models and their application within specific research domains. |
| Titolo autorizzato: | Q-RASAR |
| ISBN: | 3-031-52057-2 |
| Formato: | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione: | Inglese |
| Record Nr.: | 9910806198703321 |
| Lo trovi qui: | Univ. Federico II |
| Opac: | Controlla la disponibilità qui |
Serie:
SpringerBriefs in Molecular Science, . 2191-5415