Practical Chemoinformatics

• Κύριοι συγγραφείς: Karthikeyan, Muthukumarasamy (Συγγραφέας), Vyas, Renu (Συγγραφέας)
• Συγγραφή απο Οργανισμό/Αρχή: SpringerLink (Online service)
• Μορφή: Ηλεκτρονική πηγή Ηλ. βιβλίο
• Γλώσσα: English
• Έκδοση: New Delhi : Springer India : Imprint: Springer, 2014.
• Θέματα: Chemistry.; Chemoinformatics.; Communication in chemistry.; Chemistry, Physical and theoretical.; Computer Applications in Chemistry.; Theoretical and Computational Chemistry.; Documentation and Information in Chemistry.

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...

Πίνακας περιεχομένων:

• 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.