Accessing the Open PHACTS Discovery Platform with Workflow Tools

Daniela Digles; Andrei Caracoti; Edgar Jacoby

doi:10.1007/978-1-4939-7847-2_14

Accessing the Open PHACTS Discovery Platform with Workflow Tools

Methods Mol Biol. 2018:1787:183-193. doi: 10.1007/978-1-4939-7847-2_14.

Authors

Daniela Digles¹, Andrei Caracoti², Edgar Jacoby³

Affiliations

¹ Department of Pharmaceutical Chemistry, University of Vienna, Vienna, Austria. [email protected].
² BIOVIA, A Dassault Systèmes Brand, Cambridge, UK.
³ Janssen Research and Development, Beerse, Belgium.

PMID: 29736719
DOI: 10.1007/978-1-4939-7847-2_14

Abstract

The Open PHACTS Discovery Platform integrates several public databases, which can be of interest when annotating the results of a phenotypic screening campaign. Workflow tools provide easy-to-customize possibilities to access the platform. Here, we describe how to create such workflows for two different workflow tools (KNIME and Pipeline Pilot), including a protocol to annotate compounds (e.g., phenotypic screening hits) with compound classification, known protein targets, and classifications of the targets.

Keywords: KNIME; Open PHACTS; Phenotypic screening; Pipeline Pilot; Workflow tool.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Computational Biology / methods*
Drug Discovery* / methods
Molecular Sequence Annotation
Phenotype
Software*
Web Browser
Workflow