Similarity-Based Virtual Screen Using Enhanced Siamese Deep Learning Methods.

ABSTRACT: Traditional drug production is a long and complex process that leads to new drug production. The virtual screening technique is a computational method that allows chemical compounds to be screened at an acceptable time and cost. Several databases contain information on various aspects of biologically active substances. Simple statistical tools are difficult to use because of the enormous amount of information and complex data samples of molecules that are structurally heterogeneous recorded in these databases. Many techniques for capturing the biological similarity between a test compound and a known target ligand in LBVS have been established. However, despite the good performances of the above methods compared to their prior, especially when dealing with molecules that have homogeneous a

SUBMITTER: Altalib MK 

PROVIDER: S-EPMC8851658 | biostudies-literature | 2022 Feb

REPOSITORIES: biostudies-literature