Data curation

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In this study, we have used different datasets of inhibitors having experimentally verified percent inhibition 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 563 compounds for RT, 518 in case of PR, and 186 inhibitors targeting the IN protein (Table below).

S. No.	HIV protein	Overall data	Data filter
			Percent inhibition	Reference	Non redundant
1	Protease	740	601	569	518
2	Integrase	406	378	376	186
3	Reverse transcriptase	1000	943	921	563

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