Molecular similarity searching based on deep learning for feature reduction

• Main Author: Saeed Nasser, Maged Mohammed
• Format: Thesis
• Language: English
• Published: 2022
• Subjects: QA75 Electronic computers. Computer science
• Online Access: http://eprints.utm.my/id/eprint/101478/1/MagedMohammedSaeedNasserPSC2022.pdf.pdf; http://eprints.utm.my/id/eprint/101478/; http://dms.library.utm.my:8080/vital/access/manager/Repository/vital:150555
• Institution: Universiti Teknologi Malaysia

The concept of molecular similarity has been widely used in rational drug design, where structurally similar molecules are explored in molecular databases for retrieving functionally similar molecules. The most used conventional similarity methods are two-dimensional (2D) fingerprints to evaluate th...