Applications of artificial intelligence and machine learning algorithms to crystallization

C Xiouras, F Cameli, GL Quillo… - Chemical …, 2022 - ACS Publications
… the applications, benefits, and limitations of the machine learning algorithms to crystallization
… This section outlines some popular machine learning algorithms applied to crystallization

Modeling and Predictive Control of Cooling Crystallization of Potassium Sulfate by Dynamic Image Analysis: Exploring Phenomenological and Machine Learning …

MGF de Moraes, FARD Lima, PLC Lage… - Industrial & …, 2023 - ACS Publications
… the batch cooling crystallization processes. Efficient process … the modeling of batch cooling
crystallization based on online … for the batch cooling crystallization of potassium sulfate in …

Machine learning modeling and predictive control of the batch crystallization process

Y Zheng, X Wang, Z Wu - Industrial & Engineering Chemistry …, 2022 - ACS Publications
… the crystallization kinetics of growth, nucleation, agglomeration, and breakage, which are in
turn heavily influenced by the crystallization … of things, artificial intelligence, and advanced …

Recent advances in describing and driving crystal nucleation using machine learning and artificial intelligence

ER Beyerle, Z Zou, P Tiwary - Current Opinion in Solid State and Materials …, 2023 - Elsevier
… Furthermore, many systems of interest can crystallize into multiple polymorphs, with ice being
… structures that are not perfect, canonical versions of these enumerated crystalline motifs. …

Machine learning-based solubility prediction and methodology evaluation of active pharmaceutical ingredients in industrial crystallization

Y Ma, Z Gao, P Shi, M Chen, S Wu, C Yang… - Frontiers of Chemical …, 2022 - Springer
… on the better application of the ML framework in the crystallization field. Xin et al. [26] …
algorithm training based on the ML approach for constructing models that predict the crystallization

Predicting pharmaceutical crystal morphology using artificial intelligence

MR Wilkinson, U Martinez-Hernandez, LK Huggon… - …, 2022 - pubs.rsc.org
artificial intelligence offers extraordinary potential for developing predictive, data-driven
morphology models. Here, machine learning algorithms … the morphology of crystallizing APIs, this …

[HTML][HTML] A synthetic machine learning framework for complex crystallization processes: The case study of the second-order asymmetric transformation of enantiomers

EA Kovács, B Szilágyi - Chemical Engineering Journal, 2023 - Elsevier
… Batch CWM found recent applications in pharmaceutical crystallization for particle size
and … pioneering, qualitative studies on continuous, isothermal crystallization [19]. The high-shear …

Modeling of the Crystallization Conditions for Organic Synthesis Product Purification Using Deep Learning

M Vaškevičius, J Kapočiūtė-Dzikienė, L Šlepikas - Electronics, 2022 - mdpi.com
crystallization conditions which are invariant to the reaction type. The offered deep
learning-based method is trained to directly predict the solvent labels used in the crystallization

Machine learning applications in macromolecular X-ray crystallography

M Vollmar, G Evans - Crystallography Reviews, 2021 - Taylor & Francis
… ’s eye view of artificial intelligence and machine learning, starting with a comprehensive …
been used to predict the chances of successful crystallization of a protein based on its sequence …

Sequence-based prediction model of protein crystallization propensity using machine learning and two-level feature selection

NQK Le, W Li, Y Cao - Briefings in Bioinformatics, 2023 - academic.oup.com
… of protein crystallization prediction based on statistical and machine-learning algorithms
with … Her research interests are artificial intelligence, intelligent system and bioinformatics. …