Molecule editor
A molecule editor is a computer program for creating and modifying representations of chemical structures.
Molecule editors can manipulate chemical structure representations in either a simulated two-dimensional space or three-dimensional space, via 2D computer graphics or 3D computer graphics, respectively. Two-dimensional output is used as illustrations or to query chemical databases. Three-dimensional output is used to build molecular models, usually as part of molecular modelling software packages.
Database molecular editors such as Leatherface, RECAP, and Molecule Slicer allow large numbers of molecules to be modified automatically according to rules such as 'deprotonate carboxylic acids' or 'break exocyclic bonds' that can be specified by a user.
Molecule editors typically support reading and writing at least one file format or line notation. Examples of each include Molfile and simplified molecular input line entry specification, respectively.
Files generated by molecule editors can be displayed by molecular graphics tools.
Standalone programs
2D structure editing
| Program | Developer | License | Platforms | Info |
| ACD/ChemSketch | ACD/Labs | Windows | A chemically intelligent drawing interface allowing creation of 2D structures for organics, organometallics, polymers, and Markush structures. Freeware version available. | |
| BIOVIA Draw | Dassault Systèmes | Windows | Successor of ISIS/Draw. | |
| ChemDraw | Revvity Signals | Windows, macOS | Primarily for editing 2D chemical structures and reactions | |
| ChemWindow | Wiley | Windows | Freeware for academic research and teaching; part of the KnowItAll software environment | |
| JChemPaint | JChemPaint Developers | Cross-platform | A 2D structural formula editor written in Java | |
| XDrawChem | XDrawChem developers | Windows, macOS, Linux | A 2D chemical structure drawing tool based on OpenBabel |
3D structure editing
Java Applets
| Applet | Developer | License | Info |
| JChemPaint | Editor and viewer applets | ||
| JME Molecule Editor | Peter Ertl | freeware available from Molinspiration; Freeware for noncommercial use |
JavaScript embeddable editors
| Program | Developer | License | Desktop Browser IE6-7-8 | Desktop Browser other | iPad | iPhone | Android | Info |
| Kekulé Program | Kekule.js Lab | MIT License |