Journal of Cheminformatics· 2018Q1
Mordred: a molecular descriptor calculator
- 1,558citations
- Q1SCImago
- 2018year
Short summary
Mordred is a new, open-source molecular descriptor calculator that computes over 1800 2D/3D descriptors, is at least twice as fast as PaDEL-Descriptor, and handles large molecules, addressing common software issues like bugs and licensing.
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Computational Theory and MathematicsComputer Science