Deep learning based methods for molecular similarity searching: a systematic review

• Main Authors: Nasser, Maged, Yusof, Umi Kalsom, Salim, Naomie
• Format: Article
• Language: English
• Published: MDPI 2023
• Subjects: Q Science (General)
• Online Access: http://eprints.utm.my/106538/1/NaomieSalim2023_DeepLearningBasedMethodsforMolecular.pdf; http://eprints.utm.my/106538/; http://dx.doi.org/10.3390/pr11051340

In rational drug design, the concept of molecular similarity searching is frequently used to identify molecules with similar functionalities by looking up structurally related molecules in chemical databases. Different methods have been developed to measure the similarity of molecules to a target qu...