Feature Reduction for Molecular Similarity Searching Based on Autoencoder Deep Learning

Maged Nasser; Naomie Salim; Faisal Saeed; Shadi Basurra; Idris Rabiu; Hentabli Hamza; Muaadh A. Alsoufi

doi:10.3390/biom12040508

Feature Reduction for Molecular Similarity Searching Based on Autoencoder Deep Learning

Maged Nasser^*, Naomie Salim, Faisal Saeed, Shadi Basurra, Idris Rabiu, Hentabli Hamza, Muaadh A. Alsoufi

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

12 Citations (SciVal)

Original language	English
Article number	508
Journal	Biomolecules
Volume	12
Issue number	4
DOIs	https://doi.org/10.3390/biom12040508
Publication status	Published (VoR) - 27 Mar 2022

Funding

Funding: This research was funded by Research Management Center (RMC) at the Universiti Teknologi Malaysia (UTM) under the Research University Grant Category (VOT Q.J130000.2528.16H74, Q.J130000.2528.18H56, and R.J130000.7828.4F985) and funded by the Data Analytics and Artificial Intelligence (DAAI), Birmingham City University, UK. Acknowledgments: This work is supported by the Ministry of Higher Education (MOHE) and the Research Management Center (RMC) at the Universiti Teknologi Malaysia (UTM) under the Research University Grant Category (VOT Q.J130000.2528.16H74, Q.J130000.2528.18H56, and R.J130000.7828.4F985) and funded by the Data Analytics and Artificial Intelligence (DAAI) research group, Birmingham City University, UK.

Keywords

autoencoder
drug design
irrelevant and redundant features
molecular similarity

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10.3390/biom12040508

https://www.mdpi.com/journal/biomolecules

Cite this

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title = "Feature Reduction for Molecular Similarity Searching Based on Autoencoder Deep Learning",

keywords = "autoencoder, drug design, irrelevant and redundant features, molecular similarity",

author = "Maged Nasser and Naomie Salim and Faisal Saeed and Shadi Basurra and Idris Rabiu and Hentabli Hamza and Alsoufi, \{Muaadh A.\}",

note = "Funding Information: Funding: This research was funded by Research Management Center (RMC) at the Universiti Teknologi Malaysia (UTM) under the Research University Grant Category (VOT Q.J130000.2528.16H74, Q.J130000.2528.18H56, and R.J130000.7828.4F985) and funded by the Data Analytics and Artificial Intelligence (DAAI), Birmingham City University, UK. Funding Information: Acknowledgments: This work is supported by the Ministry of Higher Education (MOHE) and the Research Management Center (RMC) at the Universiti Teknologi Malaysia (UTM) under the Research University Grant Category (VOT Q.J130000.2528.16H74, Q.J130000.2528.18H56, and R.J130000.7828.4F985) and funded by the Data Analytics and Artificial Intelligence (DAAI) research group, Birmingham City University, UK. Publisher Copyright: {\textcopyright} 2022 by the authors. Licensee MDPI, Basel, Switzerland.",

year = "2022",

month = mar,

day = "27",

doi = "10.3390/biom12040508",

language = "English",

volume = "12",

journal = "Biomolecules",

issn = "2218-273X",

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TY - JOUR

T1 - Feature Reduction for Molecular Similarity Searching Based on Autoencoder Deep Learning

AU - Nasser, Maged

AU - Salim, Naomie

AU - Saeed, Faisal

AU - Basurra, Shadi

AU - Rabiu, Idris

AU - Hamza, Hentabli

AU - Alsoufi, Muaadh A.

N1 - Funding Information: Funding: This research was funded by Research Management Center (RMC) at the Universiti Teknologi Malaysia (UTM) under the Research University Grant Category (VOT Q.J130000.2528.16H74, Q.J130000.2528.18H56, and R.J130000.7828.4F985) and funded by the Data Analytics and Artificial Intelligence (DAAI), Birmingham City University, UK. Funding Information: Acknowledgments: This work is supported by the Ministry of Higher Education (MOHE) and the Research Management Center (RMC) at the Universiti Teknologi Malaysia (UTM) under the Research University Grant Category (VOT Q.J130000.2528.16H74, Q.J130000.2528.18H56, and R.J130000.7828.4F985) and funded by the Data Analytics and Artificial Intelligence (DAAI) research group, Birmingham City University, UK. Publisher Copyright: © 2022 by the authors. Licensee MDPI, Basel, Switzerland.

PY - 2022/3/27

Y1 - 2022/3/27

KW - autoencoder

KW - drug design

KW - irrelevant and redundant features

KW - molecular similarity

UR - https://www.scopus.com/pages/publications/85127250361

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U2 - 10.3390/biom12040508

DO - 10.3390/biom12040508

M3 - Article

SN - 2218-273X

VL - 12

JO - Biomolecules

JF - Biomolecules

IS - 4

M1 - 508

ER -

Feature Reduction for Molecular Similarity Searching Based on Autoencoder Deep Learning

Funding

Keywords

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