Software Supplement for "Interpreting linear support vector machines with heat map atom and bond coloring"

The fingerprinting tool requires correct 2D structures with explicit hydrogens. A Java Runtime Environment Version 1.6 is required to run the programs. It might be necessary to add some additional memory, for example 512MByte (-Xmx512M).

ECFP fingerprint tool for molecular graphs

The resulting ECFP fingerprints are written in LIBSVM/LIBLINEAR format. Executable JAR, Requirements: JRE 1.6.

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Learning Library for vHTS including LIBLINEAR

This machine is suitable for (multi-)classification using high-dimensional sparse feature vectors. Executable JAR, Requirements: JRE 1.6.
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Heat map coloring viewer

Executable for visualization of the heat map coloring. Requirements: JRE 1.6
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Tutorial for heat map coloring of tutorial data set

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