Computational Intelligence Modeling of the Macromolecules Release from PLGA Microspheres-Focus on Feature Selection.
Poly-lactide-co-glycolide (PLGA) is a copolymer of lactic and glycolic acid. Drug release from PLGA microspheres depends not only on polymer properties but also on drug type, particle size, morphology of microspheres, release conditions, etc. Selecting a subset of relevant properties for PLGA is a challenging machine learning task as there are over three hundred features to consider. In this work, we formulate the selection of critical attributes for PLGA as a multiobjective optimization problem with the aim of minimizing the error of predicting the dissolution profile while reducing the number of attributes selected. Four bio-inspired optimization algorithms: antlion optimization, binary version of antlion optimization, grey wolf optimization, and social spider optimization are used to select the optimal feature set for predicting the dissolution profile of PLGA. Besides these, LASSO algorithm is also used for comparisons. Selection of crucial variables is performed under the assumption that both predictability and model simplicity are of equal importance to the final result. During the feature selection process, a set of input variables is employed to find minimum generalization error across different predictive models and their settings/architectures. The methodology is evaluated using predictive modeling for which various tools are chosen, such as Cubist, random forests, artificial neural networks (monotonic MLP, deep learning MLP), multivariate adaptive regression splines, classification and regression tree, and hybrid systems of fuzzy logic and evolutionary computations (fugeR). The experimental results are compared with the results reported by Szlȩk. We obtain a normalized root mean square error (NRMSE) of 15.97% versus 15.4%, and the number of selected input features is smaller, nine versus eleven.
Faculty of Mathematics and Computer Science, Babes-Bolyai University, Cluj-Napoca, Romania.|Faculty of Computers and Information, Beni-Suef University, Beni-Suef, Egypt.
Hossam M
HM
Zawbaa
Department of Pharmaceutical Technology and Biopharmaceutics, Jagiellonian University Medical College, Krakow, Poland.
Jakub
J
Szlȩk
Faculty of Mathematics and Computer Science, Babes-Bolyai University, Cluj-Napoca, Romania.|College of Engineering, Design and Physical Sciences, Brunel University, London, United Kingdom.
Crina
C
Grosan
Department of Pharmaceutical Technology and Biopharmaceutics, Jagiellonian University Medical College, Krakow, Poland.
Renata
R
Jachowicz
Department of Pharmaceutical Technology and Biopharmaceutics, Jagiellonian University Medical College, Krakow, Poland.
Aleksander
A
Mendyk
D000465:Algorithms; D001185:Artificial Intelligence; D065546:Drug Liberation; D006801:Humans; D019344:Lactic Acid / Q000737:chemistry* / Q000627:therapeutic use; D046911:Macromolecular Substances / Q000737:chemistry* / Q000627:therapeutic use; D008863:Microspheres; D010316:Particle Size; D011100:Polyglycolic Acid / Q000737:chemistry* / Q000627:therapeutic use; D000077182:Polylactic Acid-Polyglycolic Acid Copolymer; D011108:Polymers / Q000737:chemistry / Q000627:therapeutic use
D046911:Macromolecular Substances; D011108:Polymers; D000077182:Polylactic Acid-Polyglycolic Acid Copolymer; D011100:Polyglycolic Acid; D019344:Lactic Acid