Developing and validating predictive decision tree models from mining chemical structural fingerprints and high–throughput screening data in PubChem

Table 1 HTS assays analyzed in this study

Protein Target	The role of active compounds	PubChem Bioassay AID No.	Number of Compounds tested	Number of active compounds identified
5-Hydroxytryptamine Receptor Subtype 1a	agonist	567	64,906	366
	antagonist	612	61,606	416
HIV-1 reverse transcriptase associated ribonuclease H	inhibitor	565	65,216	1,250
		372	99,768	770

ISSN: 1471-2105