1. Recent advances in molecular diversity

   • Chris L. Waller

   OriginalPaper Pages: 173 - 174

2. An overview of the diversity represented in commercially-available databases

   • Mary P. Bradley

   OriginalPaper Pages: 175 - 183

3. Filtering databases and chemical libraries

   • Paul S. Charifson
   • W. Patrick Walters

   OriginalPaper Pages: 185 - 197

4. Current trends in lead discovery: Are we looking for the appropriate properties?

   • Tudor I. Oprea

   OriginalPaper Pages: 199 - 208

5. Multiobjective optimization of combinatorial libraries

   • D.K. Agrafiotis

   OriginalPaper Pages: 209 - 230

6. Predictive QSAR modeling based on diversity sampling of experimental datasets for the training and test set selection

   • Alexander Golbraikh
   • Alexander Tropsha

   OriginalPaper Pages: 231 - 243

7. Reactant- and product-based approaches to the design of combinatorial libraries

   • Valerie J. Gillet

   OriginalPaper Pages: 245 - 254

8. Towards a new age of virtual ADME/TOX and multidimensional drug discovery

   • Sean Ekins
   • Bruno Boulanger
   • Maggie A.Z. Hupcey

   OriginalPaper Pages: 255 - 275

9. New methods in predictive metabolism

   • Scott Boyer
   • Ismael Zamora

   OriginalPaper Pages: 277 - 287

10. Exploring privileged structures: The combinatorial synthesis of cyclic peptides

    • Douglas A. Horton
    • Gregory T. Bourne
    • Mark L. Smythe

    OriginalPaper Pages: 289 - 304

11. Chemoinformatics methods for systematic comparison of molecules from natural and synthetic sources and design of hybrid libraries

    • Jürgen Bajorath

    OriginalPaper Pages: 305 - 313