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Record Nr. |
UNINA9910298461103321 |
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Autore |
Karthikeyan Muthukumarasamy |
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Titolo |
Practical Chemoinformatics [[electronic resource] /] / by Muthukumarasamy Karthikeyan, Renu Vyas |
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Pubbl/distr/stampa |
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New Delhi : , : Springer India : , : Imprint : Springer, , 2014 |
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ISBN |
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Edizione |
[1st ed. 2014.] |
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Descrizione fisica |
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1 online resource (XXI, 533 p. 621 illus.) |
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Disciplina |
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Soggetti |
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Chemoinformatics |
Chemistry, Physical and theoretical |
Communication in chemistry |
Computer Applications in Chemistry |
Theoretical and Computational Chemistry |
Documentation and Information in Chemistry |
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Lingua di pubblicazione |
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Formato |
Materiale a stampa |
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Livello bibliografico |
Monografia |
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Note generali |
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Bibliographic Level Mode of Issuance: Monograph |
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Nota di bibliografia |
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Includes bibliographical references and index. |
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Nota di contenuto |
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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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Sommario/riassunto |
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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 master chemoinformatics as a career. The topics chosen cover the entire spectrum of chemoinformatics activities (methods, data and tools). The algorithms, open source databases, tutorials supporting theory using standard datasets, guidelines, |
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