Data curation

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In this study, we have used different datasets of inhibitors having experimentally verified IC₅₀ values against reverse transcriptase (RT), protease (PR) and integrase (IN). The data was obtained from the ChEMBL resource (https://www.ebi.ac.uk/chembl/). After filtering entries with desired information and removing redundant entries, we were left with 2126 compounds for RT, 1895 in case of PR, and 1240 inhibitors targeting the IN protein (Table below).

S. No.	HIV protein	Overall data	Data filter
			Non redundant	Reference	IC50
1	Protease	3180	2523	1963	1895
2	Integrase	2732	1296	1255	1240
3	Reverse transcriptase	3882	2318	2222	2126

Table: Creation of datasets for the development of prediction models

Download datasets

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The datasets are available along with references and other information on the web server and can be downloaded from the urls below:

S. No.	HIV protein	Data
1	Reverse transcriptase	Download
2	Protease	Download
3	Integrase	Download

© CSIR-Institute of Microbial Technology, Chandigarh 160036, India