Name: Diverse Molecules

Author: Dave Rogers

Version: 1.1

Created: 7/2006

Modified: 7/2007 Upgraded components to v6.1 (Chris Lowden)

Purpose: This protocol identifies molecules in an external set that possess novel fingerprint features as compared with in-house molecules, scores each molecule based on the number of novel features, selects a diverse subset of the highest scoring molecules.

Requirements: Data Modeling Collection

O/S: Windows and Linux

Limitations: NA

Keyword: diverse molecules fingerprint features score

Contents: DiverseMolecules.xml

Installation: Drag and drop xml file to workspace or import protocol to server.