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Full-Text Articles in Chemistry
Machine Learning Modeling Of Polymer Coating Formulations: Benchmark Of Feature Representation Schemes, Nelson I. Evbarunegbe
Machine Learning Modeling Of Polymer Coating Formulations: Benchmark Of Feature Representation Schemes, Nelson I. Evbarunegbe
Masters Theses
Polymer coatings offer a wide range of benefits across various industries, playing a crucial role in product protection and extension of shelf life. However, formulating them can be a non-trivial task given the multitude of variables and factors involved in the production process, rendering it a complex, high-dimensional problem. To tackle this problem, machine learning (ML) has emerged as a promising tool, showing considerable potential in enhancing various polymer and chemistry-based applications, particularly those dealing with high dimensional complexities.
Our research aims to develop a physics-guided ML approach to facilitate the formulations of polymer coatings. As the first step, this …
Application Of Crystal Engineering In Multicomponent Pharmaceutical Crystals: A Study Of Theory And Practice, Soroush Ahmadi Nasrabadi
Application Of Crystal Engineering In Multicomponent Pharmaceutical Crystals: A Study Of Theory And Practice, Soroush Ahmadi Nasrabadi
Electronic Thesis and Dissertation Repository
Multicomponent crystallization, a prominent strategy in crystal engineering, offers the ability to modify the physicochemical properties of crystals by introducing a secondary component to their lattice structure. Such multicomponent crystals have found widespread application in the pharmaceutical industry. This thesis explores the experimental screening, characterization, application, and theoretical prediction of multicomponent crystals of Active Pharmaceutical Ingredients (APIs).
The first case study investigates a new solvate of Dasatinib which exhibits high instability at room temperature and transforms into a different polymorph upon desolvation. The crystal structure of this compound is obtained, revealing insights into its transient nature and the potential application …