Practical Chemoinformatics

Chemoinformatics is equipped to impact our life in a big way mainly in the fields of chemical, medical and material sciences. This book is a product of several years of experience and passion for the subject written in a simple lucid style to attract the interest of the student community who wish to...

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Detalles Bibliográficos
Clasificación:Libro Electrónico
Autores principales: Karthikeyan, Muthukumarasamy (Autor), Vyas, Renu (Autor)
Autor Corporativo: SpringerLink (Online service)
Formato: Electrónico eBook
Idioma:Inglés
Publicado: New Delhi : Springer India : Imprint: Springer, 2014.
Edición:1st ed. 2014.
Temas:
Chemistry-Data processing.
Chemistry, Physical and theoretical.
Communication in science.
Computational Chemistry.
Theoretical Chemistry.
Science Communication.
Acceso en línea:Texto Completo
Tabla de Contenidos:
  • Open Source Tools, Techniques and Data in Chemoinformatics
  • Chemoinformatics Approach for the Design and Screening of focused virtual libraries
  • Machine Learning Methods in Chemoinformatics for Drug Discovery
  • Docking and pharmacophore modeling for virtual screening
  • Active site directed pose prediction programs for efficient filtering of molecules
  • Representation, fingerprinting and modeling of chemical reactions
  • Predictive methods for Organic Spectral data Simulation
  • Chemical Text mining for Lead Discovery
  • Integration of Automated Work flow in Chemoinformatics for drug discovery
  • Cloud computing Infrastructure development for Chemoinformatics.

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