An Introduction To Chemoinformatics

• Κύριοι συγγραφείς: Leach, Andrew R. (Συγγραφέας), Gillet, Valerie J. (Συγγραφέας)
• Συγγραφή απο Οργανισμό/Αρχή: SpringerLink (Online service)
• Μορφή: Ηλεκτρονική πηγή Ηλ. βιβλίο
• Γλώσσα: English
• Έκδοση: Dordrecht : Springer Netherlands, 2007.
• Θέματα: Chemistry.; Pharmacy.; Chemoinformatics.; Chemistry, Physical and theoretical.; Theoretical and Computational Chemistry.; Computer Applications in Chemistry.

Chemoinformatics draws upon techniques from many disciplines including computer science, mathematics, computational chemistry and data visualisation to tackle these problems. This, the first text written specifically for this field, aims to provide an introduction to the major techniques of chemoinf...

Πίνακας περιεχομένων:

• Representation And Manipulation Of 2D Molecular Structures
• Representation And Manipulation Of 3d Molecular Structures
• Molecular Descriptors
• Computational Models
• Similarity Methods
• Selecting Diverse Sets Of Compounds
• Analysis Of High-Throughput Screening Data
• Virtual Screening
• Combinatorial Chemistry And Library Design.