About DataWarrior
DataWarrior is a program for visualizing and analyzing data that includes chemical-structure analysis. It combines interactive row filtering with graphical views such as scatter, box, bar, and pie charts. In chemistry data, these charts can display trends across molecular scaffolds and compound substitutions. The application calculates chemical descriptors that encode features of molecular structures, enabling different ways to compare compounds and filter a dataset. DataWarrior can cluster compounds, select diverse subsets, and calculate similarities for further visualization, including multidimensional scaling. It can also calculate physicochemical properties, build structure–activity relationship tables, and display activity cliffs, where a small structural change corresponds to a notable difference in measured activity. These tools bring data exploration and chemical analysis together, supporting work with compound collections and the patterns they contain.
Categories
Platforms
Website & Downloads
Trusted package or store listing
Related software
- 3DVista Virtual Tour — 3DVista Virtual Tour is multimedia software for creating 3D tours and 360-degree virtual visits.
- 4nec2 — 4nec2 is a Windows application for creating, viewing, optimizing, and checking two- and three-dimensional antenna geometry.
- AINE Paint — AINE Paint is a drawing application for Windows designed to be approachable for people new to digital art.
- Advanced Dirt Removal — Advanced Dirt Removal provides power grades for DaVinci Resolve to help recover image detail in dirty, dusty, or damaged film scans.
- Argyll CMS — Argyll Color Management System is an open-source, ICC-compatible toolkit for creating and using color profiles.
- ArtHub — ArtHub is a cloud-based digital asset management system for game art production.
