Pharmaceutical Compounds analysis

Analysis title

Pharmaceutical Compounds analysis

Provider

Biosoft

Class

PCAnalysis

Plugin

biouml.plugins.genomeenhancer (Genome Enhancer)

Description

This method seeks for the optimal combination of molecular targets among input genes that potentially interact with pharmaceutical compounds from a library of known drugs and biologically active chemical compounds predicted with the cheminformatics tool PASS.

Parameters:

• Genes table – Path to table with genes
• Weight column (expert) – Genes' weight column name
• Diseases names – Names of the diseases, all diseases will be considered if nothing is selected
• Minimal targets – Minimal targets linked with structure satisfying conditions
• Use custom targets threshold – Flag to show that targets threshold is enabled. If disabled would be cut off if Pa<Pi
• Targets threshold (Pm) – Threshold (Pm) to cut off targets with Pa<Pm
• Toxicities threshold (Pt) – Threshold (Pt) to cut off structures with Pa>Pt for at least one toxicity
• Use custom diseases threshold – Flag to show that diseases threshold is enabled. If disabled would be cut off if Pa<Pi
• Diseases threshold (Pb) – Threshold (Pb) to cut off structures with Pa<Pb for all effects which corresponds to selected diseases
• False positive target weight (expert) – Weight of false positive targets in target activity score formula. False positive targets are known targets of the drug that are not included in input targets list
• Output table with structures – Output table with structures
• Output table with targets – Output table with targets