Table 2.

Examples of common software and webservers used for computing molecular descriptors. ‘Year’ means the date of first release

Name	Year	No. of descriptors	No. of fingerprints	Link	Ref.
Dragon	1997	5270 (v.7.0)	–	http://www.talete.mi.it/
CDK	2003	275	9	https://cdk.github.io/	[32]
BlueDesc	2003	174	–	http://www.ra.cs.uni-tuebingen.de/software/bluedesc/
Mold2	2008	779	–	https://www.fda.gov/science-research/bioinformatics-tools/mold2	[34]
Pybel	2008	24	4	https://github.com/pybel/pybel	[57]
PaDEL	2011	1875	12	https://github.com/ecrl/padelpy	[35]
RDKit	2013	196	8	https://www.rdkit.org/
PyDPI	2013	615	7	https://pypi.org/project/pydpi/	[29]
Chemopy	2013	1135	7	https://github.com/ifyoungnet/Chemopy	[28]
Rcpi	2015	308	10	http://bioconductor.org/packages/release/bioc/html/Rcpi.html	[36]
Mordred	2018	1825	–	https://github.com/mordred-descriptor/mordred	[58]
PyBioMed	2018	775 (9920 protein descriptors, 6000 DNA/RNA descriptors)	19	https://github.com/gadsbyfly/PyBioMed	[30]
alvaDesc	2019	5666 (v.2.0.16)	3	https://www.alvascience.com/alvadesc/	[59]
BioMedR	2021	293 (9920 protein descriptors, 6000 DNA/RNA descriptors)	13	https://github.com/wind22zhu/BioMedR	[37]
E-dragon	2005	1600	–	http://www.vcclab.org/lab/edragon/
ChemDes	2015	3679	59	http://www.scbdd.com/chemdes	[38]
BioTriangle	2016	540 (9890 protein descriptors, 6376 DNA/RNA descriptors)	7	http://biotriangle.scbdd.com	[39]
ChemSAR	2017	783	10	http://chemsar.scbdd.com	[60]