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Artificial intelligence generates novel 3D printing formulations

Elbadawi, Moe; Li, Hanxiang; Sun, Siyuan; Alkahtani, Manal E; Basit, Abdul W; Gaisford, Simon; (2024) Artificial intelligence generates novel 3D printing formulations. Applied Materials Today , 36 , Article 102061. 10.1016/j.apmt.2024.102061. Green open access

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Abstract

Formulation development is a critical step in the development of medicines. The process requires human creativity, ingenuity and in-depth knowledge of formulation development and processing optimization, which can be time-consuming. Herein, we tested the ability of artificial intelligence (AI) to create de novo formulations for three-dimensional (3D) printing. Specifically, conditional generative adversarial networks (cGANs), which are generative models known for their creativity, were trained on a dataset consisting of 1437 fused deposition modelling (FDM) printed formulations that were extracted from both the literature and in-house data. In total, 27 different cGANs architectures were explored with varying learning rate, batch size and number of hidden layers parameters to generate 270 formulations. After a comparison between the characteristics of AI-generated and human-generated formulations, it was discovered that cGANs with a medium learning rate (10−4) could strike a balance in generating formulations that are both novel and realistic. Four of these formulations were fabricated using an FDM printer, of which the first AI-generated formulation was successfully printed. Our study represents a milestone, highlighting the capacity of AI to undertake creative tasks and its potential to revolutionize the drug development process.

Type: Article
Title: Artificial intelligence generates novel 3D printing formulations
Open access status: An open access version is available from UCL Discovery
DOI: 10.1016/j.apmt.2024.102061
Publisher version: http://dx.doi.org/10.1016/j.apmt.2024.102061
Language: English
Additional information: Copyright © 2024 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/).
Keywords: Machine learning; Neural networks; Deep learning; Generative AI; Additive manufacturing; Drug delivery and drug development; Big data
UCL classification: UCL
UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences
UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences > Faculty of Life Sciences
UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences > Faculty of Life Sciences > UCL School of Pharmacy
UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences > Faculty of Life Sciences > UCL School of Pharmacy > Pharmaceutics
URI: https://discovery.ucl.ac.uk/id/eprint/10186193
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