Drug combination analysis software tools | Drug discovery data analysis
Many drug combinations are routinely assessed to identify synergistic interactions in the attempt to develop novel treatment strategies. Appropriate software is required to analyse the results of these studies.
Offers advanced graphical capabilities and allows for model-based quantification of drug combinations in single and high-throughput settings. Combenefit enables the visualisation, analysis and quantification of drug combination effects in terms of synergy and/or antagonism. Data from combinations assays can be processed using classical Synergy models (Loewe, Bliss, HSA), as single experiments or in batch for high throughput screens. This user-friendly tool provides laboratory scientists with an easy and systematic way to analyse their data. The companion package provides bioinformaticians with critical implementations of routines enabling the processing of combination data.
Constructs, optimizes and applies computational models of cellular processes. CoPIA is a program that combines model construction in terms of nonlinear differential equations, combinatorial intervention, molecular observation at multiple points, optimization of model parameters with simplicity constraints and experimental validation. The software can be used to build reasonably accurate quantitative predictors of pathway responses to combinatorial drug perturbation in MCF7 cells.
Allows integration of information about the synergistic interactions of compounds with information about their properties (chemical structure, physicochemical properties, bio-activity profiles) to produce a single visualization. As a result the relationships between compound and combination properties may be investigated simultaneously, and thus may afford insight into the synergy observed in the screen. An interactive web app implementation called Synergy Maps, developed for public use, allows straightforward exploration of combination data, and easier identification of correlations between compound properties and interactions.
Serves for pre-processing and visualization of the drug combination dose-response data. The tool implements synergy scoring with four major reference models: (i) HSA model, where the synergy score quantifies the excess over the highest single drug response; (ii) Loewe model, where the synergy score quantifies the excess over the expected response if the two drugs are the same compound; (iii) Bliss model, where the expected response is a multiplicative effect as if the two drugs act independently; and (iv) ZIP model, where the expected response corresponds to an additive effect as if the two drugs do not affect the potency of each other.
A software tool designed for fast and efficient analysis of compound combination experiments. Dedicated calculation methods together with visualization methods such as heat maps and isobolograms enable assessment of combination effects, and the inherent automation, standardization, and flexibility of Genedata Screener provide excellent performance and streamlined workflows. Interactive calculation and visualization configuration combined with robust fitting produce better results in shorter time.
Represents a docking which works to rank of ligand binding affinities. CombiGlide can generate focused libraries in support of lead optimization efforts, identify novel scaffolds, or create virtual combinatorial libraries that may be screened for leads. It tries to identify effective reagent combinations that have the highest likelihood of binding tightly to the target protein.
Offers conventional cell viability and subsequently Bliss and therapeutic synergy (TS) analyses. COMBO-V is a toolbox that is a component of COMBImage, a modular and instrument independent computational framework for large-scale pairwise drug combination analysis (CA) and visualization. The Bliss and therapeutic synergy (TS) analyses are refined by means of a weighting step with the aim to provide a useful ranking of the combination effects observed.