Developing a model-driven workflow for the digital design of small-scale batch cooling crystallisation with the antiviral lamivudine

T Pickles, C Mustoe, C Boyle, J Cardona, CJ Brown… - …, 2024 - pubs.rsc.org
We present a workflow that uses digital tools to optimise the experimental approach and
maximise the efficiency in achieving the required process parameters for a desired set of …

Improved modeling of crystallization processes by Universal Differential Equations

FARD Lima, CM Rebello, EA Costa, VV Santana… - … Research and Design, 2023 - Elsevier
Crystallization is a crucial process in the pharmaceutical industry, usually modeled by
Population Balance Models (PBM). This study introduces a novel approach, combining PBM …

Building confidence in deep learning-based image analytics for characterization of pharmaceutical samples

H Salami, D Skomski - Chemical Engineering Science, 2023 - Elsevier
Thanks to advances in instrumentation and analysis methods, particularly deep
convolutional neural networks (CNNs), imaging is used as an analytical method in the …

[HTML][HTML] OpenCrystalData: An open-access particle image database to facilitate learning, experimentation, and development of image analysis models for …

Y Barhate, C Boyle, H Salami, WL Wu… - Digital Chemical …, 2024 - Elsevier
Imaging and image-based process analytical technologies (PAT) have revolutionized the
design, development, and operation of crystallization processes, providing greater process …

Recent Advances in the Application of Machine Learning to Crystal Behavior and Crystallization Process Control

M Lu, S Rao, H Yue, J Han, J Wang - Crystal Growth & Design, 2024 - ACS Publications
Crystals are integral to a variety of industrial applications, such as the development of
pharmaceuticals and advancements in material science. To anticipate crystal behavior and …

[HTML][HTML] Machine learning for polyphenol-based materials

S Jiang, P Yang, Y Zheng, X Lu, C Xie - Smart Materials in Medicine, 2024 - Elsevier
Polyphenol-based materials, primarily composed of polyphenolic compounds, have
attracted considerable attention due to their unique chemical structures and biological …

Transforming organic chemistry research paradigms: Moving from manual efforts to the intersection of automation and artificial intelligence

C Liu, Y Chen, F Mo - National Science Open, 2024 - nso-journal.org
Organic chemistry is undergoing a major paradigm shift, moving from a labor-intensive
approach to a new era dominated by automation and artificial intelligence (AI). This …

Artificial Intelligence Assisted Pharmaceutical Crystallization

Z Zhu, Y Zhang, Z Wang, W Tang, J Wang… - Crystal Growth & …, 2024 - ACS Publications
The ever-increasing demand for novel drug development has spurred the adaptation of
conventional research methods in the era of artificial intelligence. Pharmaceutical …

Developing diagnostic tools for canine periodontitis: combining molecular techniques and machine learning models

A Ruparell, M Gibbs, A Colyer, C Wallis, S Harris… - BMC Veterinary …, 2023 - Springer
Background Dental plaque microbes play a key role in the development of periodontal
disease. Numerous high-throughput sequencing studies have generated understanding of …

Integrating Machine Learning and Molecular Simulation for Material Design and Discovery

P Sinha, D Roshini, V Daoo, BM Abraham… - Transactions of the Indian …, 2023 - Springer
Abstract Machine learning (ML) and artificial intelligence (AI) have enabled transformative
impact on materials science by accelerating cutting-edge insights from computational …