Feature reduction for molecular similarity searching based on autoencoder deep learning

M Nasser, N Salim, F Saeed, S Basurra, I Rabiu… - Biomolecules, 2022 - mdpi.com
The concept of molecular similarity has been commonly used in rational drug design, where
structurally similar molecules are examined in molecular databases to retrieve functionally …

Similarity-based virtual screen using enhanced Siamese multi-layer perceptron

MK Altalib, N Salim - Molecules, 2021 - mdpi.com
Traditional drug development is a slow and costly process that leads to the production of
new drugs. Virtual screening (VS) is a computational procedure that measures the similarity …

Similarity-based virtual screen using enhanced Siamese deep learning methods

MK Altalib, N Salim - ACS omega, 2022 - ACS Publications
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 …

Hybrid-Enhanced Siamese Similarity Models in Ligand-Based Virtual Screen

MK Altalib, N Salim - Biomolecules, 2022 - mdpi.com
Information technology has become an integral aspect of the drug development process.
The virtual screening process (VS) is a computational technique for screening chemical …

[PDF][PDF] Feature Reduction for Molecular Similarity Searching Based on Autoencoder Deep Learning. Biomolecules 2022, 12, 508

M Nasser, N Salim, F Saeed, S Basurra, I Rabiu… - 2022 - researchgate.net
The concept of molecular similarity has been commonly used in rational drug design, where
structurally similar molecules are examined in molecular databases to retrieve functionally …

[PDF][PDF] Hybrid-Enhanced Siamese Similarity Models in Ligand-Based Virtual Screen. Biomolecules 2022, 12, 1719

MK Altalib, N Salim - 2022 - eprints.utm.my
Information technology has become an integral aspect of the drug development process.
The virtual screening process (VS) is a computational technique for screening chemical …