1st Edition
Handbook of Chemoinformatics Algorithms
Representing 2D Chemical Structures with Molecular Graphs, Ovidiu Ivanciuc
Algorithms to Store and Retrieve 2D Chemical Structures, Milind Misra and Jean-Loup Faulon
3D Molecular Representations, Egon L. Willighagen
Molecular Descriptors, Nikolas Fechner, Georg Hinselmann, and Jörg Kurt Wegner
Ligand- and Structure-Based Virtual Screening, Robert D. Clark and Diana C. Roe
Predictive Quantitative Structure–Activity Relationships Modeling: Data Preparation and the General Modeling Workflow, Alexander Tropsha and Alexander Golbraikh
Predictive Quantitative Structure–Activity Relationships Modeling: Development and Validation of QSAR Models, Alexander Tropsha and Alexander Golbraikh
Structure Enumeration and Sampling, Markus Meringer
Computer-Aided Molecular Design: Inverse Design, Donald P. Visco, Jr.
Computer-Aided Molecular Design: De Novo Design, Diana C. Roe
Reaction Network Generation, Jean-Loup Faulon and Pablo Carbonell
Open Source Chemoinformatics Software and Database Technologies, Rajarshi Guha
Sequence Alignment Algorithms: Applications to Glycans, Trees, and Tree-Like Structures, Tatsuya Akutsu
Machine Learning-Based Bioinformatics Algorithms: Application to Chemicals, Shawn Martin
Using Systems Biology Techniques to Determine Metabolic Fluxes and Metabolite Pool Sizes, Fangping Mu, Amy L. Bauer, James R. Faeder, and William S. Hlavacek
Index
Biography
Jean-Loup Faulon is a professor in the Department of Biology at the University of Evry in France.
Andreas Bender is an assistant professor in the Leiden/Amsterdam Center for Drug Research (LACDR) at Leiden University in the Netherlands.
