Name: Multiple Library Comparison Demo

Author: Andrei Caracoti

Version: 2.0

Created: 8/15/2003

Modified: 7/2/2007

Purpose: Comparing multiple test and reference libraries and displaying the number or percent fingerprint bits in common (based on the FCFP_4) in a matrix. The protocol uses the component Multiple Library Comparison Statistics Viewer included in this package. As input, it uses the Sample Drugs dataset and selects three activity classes as test libraries. As reference, it takes a number of commercial libraries. For each reference and test library, the FCFP_4 fingerprints are calculated. Then, each reference library is compared with each test library and the statistics are displayed as a matrix in Excel. The output can be either the number of bits in common, or percentage of the test library bits found in the reference library. The output is controlled by the parameter OutputBitsInCommonAsPercentage.

Requirements: Pipeline Pilot 6.0 or later

O/S: Windows and Linux

Limitations: none known

Keyword: library matrix fingerprint similarity FCFP

Contents: Multiple Library Comparison Statistics Viewer.xml - component
Multiple Library Comparison Demo.xml - demo protocol

Installation and Use:
Import the protocol, open it and run it. For the component, drag into a new protocol, make sure you tag all the libraries. In addition, add a property to the reference libraries that marks them as reference.