DART: Directed Assembly of Random Transition Metal Complexes

Welcome to the DART platform, a cutting-edge suite of tools for the exploration of coordination chemistry! Developed by the CCEM group at Trinity College Dublin in Ireland & CIC energiGUNE in Spain, DART is designed as an accessible and simple-to-use software to generate transition metal complexes based on ligands from decades of crystallographic data. If you use DART in your research, please cite the following paper:

Clarke, C., Sommer, T., Kleuker, F., García-Melchor, M. DART: Unlocking Coordination Chemistry Beyond the Cambridge Structural Database. Preprint at https://doi.org/10.26434/chemrxiv-2024-tljj9 (2024).

DART integrates a collection of several modules:

• MetaLig :

  Explore the comprehensive MetaLig database with 41,018 ligands extracted from the Cambridge Structural Database, complete with high-quality formal charge and ligand coordination archetype assignments.

• Assembler :

  Assemble novel transition metal complexes in seconds from 22 different ligand coordination archetypes, supporting even haptic and multi-metallic systems.

• LigandFilters :

  Assemble complexes with exactly defined sub-structures by applying advanced ligand filters for each binding site.

Your role: DART is designed for researchers. While you have to think about the chemistry yourself, DART will allow you to explore the chemical space you want with the ligands you need.