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Chemoinformatics and computational chemical biology
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| 目次 | Some trends in chem(o)informatics Wendy A. Warr Molecular similarity measures Gerald M. Maggiora and Veerabahu Shanmugasundaram The ups and downs of structure-activity landscapes Rajarshi Guha Computational analysis of activity and selectivity cliffs Lisa Peltason and Jürgen Bajorath Similarity searching using 2D structural fingerprints Peter Willett Predicting the performance of fingerprint similarity searching Martin Vogt and Jürgen Bajorath Bayesian methods in virtual screening and chemical biology Andreas Bender Reduced graphs and their applications in chemoinformatics Kristian Birchall and Valerie J. Gillet Fragment descriptors in structure-property modeling and virtual screening Alexandre Varnek The scaffold tree : an efficient navigation in the scaffold universe Peter Ertl, Ansgar Schuffenhauer, and Steffen Renner Pharmacophore-based virtual screening Dragos Horvath De novo drug design Markus Hartenfeller and Gisbert Schneider Classification of chemical reactions and chemoinformatics processing of enzymatic transformations Diogo A.R.S. Latino and João Aires-de-Sousa Informatics approach to the rational design of siRNA libraries Jerry O. Ebalunode, Charles Jagun, and Weifan Zheng Beyond rhodopsin : G protein-coupled receptor structure and modeling incorporating the [beta]2-adrenergic and adenosine A₂a crystal structures Andrew J. Tebben and Dora M. Schnur Methods for combinatorial and parallel library design Dora M. Schnur, Brett R. Beno, Andrew J. Tebben, and Cullen Cavallaro The interweaving of cheminformatics and HTS Anne Kümmel and Christian N. Parker Computational systems chemical biology Tudor I. Oprea, Elebeoba E. May, Andrei Leitão, and Alexander Tropsha Ligand-based approaches to in silico pharmacology David Vidal, Ricard Garcia-Serna, and Jordi Mestres Molecular test systems for cmputational selectivity studies and systematic analysis of compound selectivity profiles Dagmar Stumpfe, Eugen Lounkine, and Jürgen Bajorath Application of support vector machine-based ranking strategies to search for target-selective compounds Anne Mai Wassermann, Hanna Geppert, and Jürgen Bajorath What do we know? : simple statistical techniques that help Anthony Nicholls.続きを見る |
| 本文を見る | Springer Nature Complete Protocols: 2011 |
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| 登録日 | 2023.09.29 |
| 更新日 | 2024.01.30 |