| TÃtulo : |
Advances in QSAR Modeling : Applications in Pharmaceutical, Chemical, Food, Agricultural and Environmental Sciences |
| Tipo de documento: |
documento electrónico |
| Autores: |
Roy, Kunal, |
| Mención de edición: |
1 ed. |
| Editorial: |
[s.l.] : Springer |
| Fecha de publicación: |
2017 |
| Número de páginas: |
X, 555 p. 132 ilustraciones, 71 ilustraciones en color. |
| ISBN/ISSN/DL: |
978-3-319-56850-8 |
| Nota general: |
Libro disponible en la plataforma SpringerLink. Descarga y lectura en formatos PDF, HTML y ePub. Descarga completa o por capítulos. |
| Idioma : |
Inglés (eng) |
| Palabras clave: |
QuÃmica FÃsica y Teórica. QuÃmica Farmaceútica quÃmica ambiental Ciencia de los Alimentos QuÃmica medicinal Agricultura QuÃmica Teórica Farmacia |
| Clasificación: |
541.2 |
| Resumen: |
El libro cubre los antecedentes teóricos y la metodologÃa, asà como todas las aplicaciones actuales de las relaciones cuantitativas estructura-actividad (QSAR). Escrito por un grupo internacional de investigadores reconocidos, este volumen editado analiza las aplicaciones de QSAR en múltiples disciplinas como la quÃmica, la farmacia, las ciencias ambientales y agrÃcolas, abordando las lagunas de datos y los requisitos regulatorios modernos. Además, se han incluido las aplicaciones de QSAR en ciencia de los alimentos y nanociencia, dos áreas que sólo recientemente han podido explotar esta versátil herramienta. Esta oportuna incorporación a la serie está dirigida a estudiantes de posgrado, académicos y cientÃficos industriales interesados ​​en los últimos avances y aplicaciones de QSAR. |
| Nota de contenido: |
Performance parameters and validation practices in QSAR modeling -- Towards interpretable QSAR models -- The use of topological indices in QSAR and QSPR modeling -- The Maximum Common Substructure (MCS) search as a new tool for SAR and QSAR -- The universal approach for structural and physico-chemical interpretation of QSAR/QSPR models -- Generative Topographic Mapping approach -- Monte Carlo methods for solution of tasks in Environmental Sciences -- QSAR in Environmental Research -- QSAR applications for environmental chemical prioritization: Biotransformation of chemicals -- QSAR modeling in environmental risk assessment: application to the prediction of pesticide toxicity -- Counter propagation artificial neural network (CP ANN) models for prediction of carcinogenicity of non congeneric chemicals for regulatory uses -- Strategy for identification of critical nanomaterials properties linked to biological impacts: interlinking of experimental and computational approaches -- QSAR/QSPR modeling inthe design of drug candidates with balanced pharmacodynamics and pharmacokinetic properties -- Molecular modeling of food chemicals as potential bioactive compounds -- On application QSARs in Food and Agricultural Sciences: History and Recent Developments. |
| Tipo de medio : |
Computadora |
| Summary : |
The book covers theoretical background and methodology as well as all current applications of Quantitative Structure-Activity Relationships (QSAR). Written by an international group of recognized researchers, this edited volume discusses applications of QSAR in multiple disciplines such as chemistry, pharmacy, environmental and agricultural sciences addressing data gaps and modern regulatory requirements. Additionally, the applications of QSAR in food science and nanoscience have been included – two areas which have only recently been able to exploit this versatile tool. This timely addition to the series is aimed at graduate students, academics and industrial scientists interested in the latest advances and applications of QSAR. |
| Enlace de acceso : |
https://link-springer-com.biblioproxy.umanizales.edu.co/referencework/10.1007/97 [...] |
Advances in QSAR Modeling : Applications in Pharmaceutical, Chemical, Food, Agricultural and Environmental Sciences [documento electrónico] / Roy, Kunal, . - 1 ed. . - [s.l.] : Springer, 2017 . - X, 555 p. 132 ilustraciones, 71 ilustraciones en color. ISBN : 978-3-319-56850-8 Libro disponible en la plataforma SpringerLink. Descarga y lectura en formatos PDF, HTML y ePub. Descarga completa o por capítulos. Idioma : Inglés ( eng)
| Palabras clave: |
QuÃmica FÃsica y Teórica. QuÃmica Farmaceútica quÃmica ambiental Ciencia de los Alimentos QuÃmica medicinal Agricultura QuÃmica Teórica Farmacia |
| Clasificación: |
541.2 |
| Resumen: |
El libro cubre los antecedentes teóricos y la metodologÃa, asà como todas las aplicaciones actuales de las relaciones cuantitativas estructura-actividad (QSAR). Escrito por un grupo internacional de investigadores reconocidos, este volumen editado analiza las aplicaciones de QSAR en múltiples disciplinas como la quÃmica, la farmacia, las ciencias ambientales y agrÃcolas, abordando las lagunas de datos y los requisitos regulatorios modernos. Además, se han incluido las aplicaciones de QSAR en ciencia de los alimentos y nanociencia, dos áreas que sólo recientemente han podido explotar esta versátil herramienta. Esta oportuna incorporación a la serie está dirigida a estudiantes de posgrado, académicos y cientÃficos industriales interesados ​​en los últimos avances y aplicaciones de QSAR. |
| Nota de contenido: |
Performance parameters and validation practices in QSAR modeling -- Towards interpretable QSAR models -- The use of topological indices in QSAR and QSPR modeling -- The Maximum Common Substructure (MCS) search as a new tool for SAR and QSAR -- The universal approach for structural and physico-chemical interpretation of QSAR/QSPR models -- Generative Topographic Mapping approach -- Monte Carlo methods for solution of tasks in Environmental Sciences -- QSAR in Environmental Research -- QSAR applications for environmental chemical prioritization: Biotransformation of chemicals -- QSAR modeling in environmental risk assessment: application to the prediction of pesticide toxicity -- Counter propagation artificial neural network (CP ANN) models for prediction of carcinogenicity of non congeneric chemicals for regulatory uses -- Strategy for identification of critical nanomaterials properties linked to biological impacts: interlinking of experimental and computational approaches -- QSAR/QSPR modeling inthe design of drug candidates with balanced pharmacodynamics and pharmacokinetic properties -- Molecular modeling of food chemicals as potential bioactive compounds -- On application QSARs in Food and Agricultural Sciences: History and Recent Developments. |
| Tipo de medio : |
Computadora |
| Summary : |
The book covers theoretical background and methodology as well as all current applications of Quantitative Structure-Activity Relationships (QSAR). Written by an international group of recognized researchers, this edited volume discusses applications of QSAR in multiple disciplines such as chemistry, pharmacy, environmental and agricultural sciences addressing data gaps and modern regulatory requirements. Additionally, the applications of QSAR in food science and nanoscience have been included – two areas which have only recently been able to exploit this versatile tool. This timely addition to the series is aimed at graduate students, academics and industrial scientists interested in the latest advances and applications of QSAR. |
| Enlace de acceso : |
https://link-springer-com.biblioproxy.umanizales.edu.co/referencework/10.1007/97 [...] |
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