Chemical Library Design

[Introduction] [Enumeration] [Library Analysis]

Enumeration

  • BOMB v 2.4

    BOMB (Biochemical and Organic Model Builder) is a key new software system, which is used to construct individual structures or combinatorial libraries given a selected core and substituents.

  • CombiLibMaker (Tripos)

    Virtual combinatorial chemistry. Specify a reaction and the list of reagents to be used, and automatically all products are generated in silico

  • CombiChem/Excel (Cambridgesoft)

    Use ChemFinder for MS Excel to build combinatorial libraries with embedded ChemDraw structures

Library Analysis

  • Leadscope
  • Chemoinformatic application which incorporates chemically based data mining, visualization and advanced informatics techniques (prediction tools, scaffold generators, etc.). The platform, coupled with a Toxicity and Known Drugs databases, provides a comprehensive in silico drug discovery solution.