In order to facilitate the virtual screening of small molecules, various chemical libraries have been developed . These database typically have millions of compunds like CAS (204 million organic substances), pubchem (111 million entries ), chemspider )(117Million chemical structure), ZINC15 (230 million purchasable compounds), binding database ate approximately 166 billion possible compounds . Since 2016, there has been a significant increase in the number of molecular libraries available for virtual screening, with the total number of molecules rising from 3.5 million to over 29 billion . Despite this growth, the known chemical space still only represents a fraction of the total possible chemical space, indicating a vast potential for exploration. Screening all libraries is impossible due to time and resource constraints . Molecular docking and chemoinformatics narrow the search space to prioritise molecules for synthesis and testing. The majority of chemical space is biologically irrelevant, and only a few molecules can target a specific target . Therefore, checking every database record against potential targets is inefficient and computationally expensive.