Predicting Bioactivity Using Chemical Fingerprint Models & Cell Morphology with Deep Neural Networks

This paper presents a novel approach to enhance the bioactivity prediction of drug compounds by integrating chemical fingerprint models with cell morphology data through deep neural networks. Traditional methods often rely on singular data modalities, which may limit prediction accuracy. Our proposed methodology addresses this limitation by leveraging a multimodal dataset analysis, aiming to improve the efficiency of drug discovery processes. The study meticulously outlines steps including data collection, preprocessing, model development, training, evaluation, and integration, grounded in established practices in deep learning. By integrating diverse data sources, our approach demonstrates promising results in enhancing bio-activity predictions, potentially reducing costs, labor, and resources associated with drug discovery. This research contributes to advancing predictive modeling in pharmaceutical research. It sets the stage for future investigations aiming to broaden application scope and refine predictive models to meet evolving demands in drug discovery.

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Published
2024-10-18
DOI
https://doi.org/10.1109/discover62353.2024.10750662
Citations
1
Primary Topic
Computational Drug Discovery Methods
Type
article
Field-Weighted Citation Impact
0.36
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Predicting Bioactivity Using Chemical Fingerprint Models & Cell Morphology with Deep Neural Networks

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Computational Drug Discovery Methods
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article

Predicting Bioactivity Using Chemical Fingerprint Models & Cell Morphology with Deep Neural Networks

H S Shrisha, Elita Lobo, Saulo L. Rêgo, Supriya D'Souza, Jogimol Joseph, Shaun Mathew Crasta
article en
1 citations

Abstract

This paper presents a novel approach to enhance the bioactivity prediction of drug compounds by integrating chemical fingerprint models with cell morphology data through deep neural networks. Traditional methods often rely on singular data modalities, which may limit prediction accuracy. Our proposed methodology addresses this limitation by leveraging a multimodal dataset analysis, aiming to improve the efficiency of drug discovery processes. The study meticulously outlines steps including data collection, preprocessing, model development, training, evaluation, and integration, grounded in established practices in deep learning. By integrating diverse data sources, our approach demonstrates promising results in enhancing bio-activity predictions, potentially reducing costs, labor, and resources associated with drug discovery. This research contributes to advancing predictive modeling in pharmaceutical research. It sets the stage for future investigations aiming to broaden application scope and refine predictive models to meet evolving demands in drug discovery.

Infosys (India) (IN)
Openalex Percentile: Top 34%
Computational Drug Discovery Methods
0.36
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