About HCDT 2.0

HCDT 2.0 is a comprehensive database that provides validated associations between drugs and targets (genes, RNAs, and pathways). In HCDT 2.0, 1,284,353 high-confidence drug-target interactions were identified, encompassing 1,224,774 interactions between 678,564 drugs and 5,692 genes, 11,770 interactions between 316 drugs and 6,430 RNAs, and 47,809 drug-pathway interactions between 6,290 drugs and 3,143 pathways.

Additionally, 16,317 drug-disease associations were included. Regarding target interactions, there were 2,639 pathway-gene interactions, and for RNA-gene interactions, two methods were employed: RNA-gene (Cis-regulatory-based method calculating distances between RNA and gene) with 11,509 interactions and RNA-target gene (target-gene-based method directly analyzing RNA and target gene relationships) with 110,294 interactions.

Furthermore, we integrated 38,653 negative DTIs from BindingDB, ChEMBL, GtoPdb, PubChem, and TTD, defined by Ki/Kd/IC50/EC50/AC50/Potency > 100 μM, covering 26,989 drugs, 1,575 target genes,which provides reliable negative samples for DTI prediction, enhancing model accuracy and reliability.

HCDT 2.0 is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes (including internal use) requires a license.