Improving personalized tumor growth predictions using a Bayesian combination of mechanistic modeling and machine learning

P Mascheroni, S Savvopoulos, JCL Alfonso… - Communications …, 2021 - nature.com
… a novel—to the best of our knowledge—Bayesian method that … the time of clinical presentation
t 0 every time the method is … the clinical outputs at a specific prediction time t p (see Fig. 2). …

Machine Learning Approach to Predict AXL Kinase Inhibitor Activity for Cancer Drug Discovery Using XGBoost and Bayesian Optimization

TR Noviandy, GM Idroes, I Hardi - Journal of Soft Computing …, 2024 - publisher.uthm.edu.my
… long time to complete [37,38]. … study introduces a sophisticated computational approach to
cancer drug discovery by leveraging an XGBoost model enhanced with Bayesian Optimization

A Bayesian Method for Population-wide Cardiotoxicity Hazard and Risk Characterization Using an In Vitro Human Model

AD Blanchette, SD Burnett, FA Grimm… - Toxicological …, 2020 - academic.oup.com
… in this study the benefits of using Bayesian approaches in … a combined experimental-computational
approach to quantify … action potential duration, rather than measures of viability such …

Comparison of cellular morphological descriptors and molecular fingerprints for the prediction of cytotoxicity-and proliferation-related assays

S Seal, H Yang, L Vollmers… - Chemical Research in …, 2021 - ACS Publications
… In this study, we explored cell morphology descriptors and … cytotoxicity assay of APR at the
24 h and 72 h time points … the best BA and AUC-ROC in 8 out of 12 assays and the best MCC …

Practical parameter identifiability for spatio-temporal models of cell invasion

MJ Simpson, RE Baker… - Journal of the …, 2020 - royalsocietypublishing.org
… We examine the practical identifiability of parameters in a … probes to show real-time
progression through the cell cycle [4]. … using an optimization-based, profile likelihood approach. In …

Computational analyses of mechanism of action (MoA): data, methods and integration

MA Trapotsi, L Hosseini-Gerami, A Bender - RSC chemical biology, 2022 - pubs.rsc.org
… , each computational method has different considerations which will be discussed in this
review such as the type of input data required, computational time … This study revealed a novel …

A comprehensive review of computational cell cycle models in guiding cancer treatment strategies

C Ma, E Gurkan-Cavusoglu - npj Systems Biology and Applications, 2024 - nature.com
… Additionally, we explore how computational approaches help … ancestor at time zero, which
lives for a certain period before … best fit of an Erlang distribution to the experimental cell cycle

Cancer classification from time series microarray data through regulatory dynamic bayesian networks

K Kourou, G Rigas, C Papaloukas, M Mitsis… - Computers in biology …, 2020 - Elsevier
… graphs, and either return the best one found (a point estimate), or … Our computational approach
reveals the importance of … In the present study we employed time series microarray gene …

An optimal time for treatment—predicting circadian time by machine learning and mathematical modelling

J Hesse, D Malhan, M Yalҫin, O Aboumanify, A Basti… - Cancers, 2020 - mdpi.com
… The administration time can be best coordinated to the daily … as an effective treatment
optimization tool, which could increase … For time-domain approaches, the time series is explored

Computational modeling as a tool to investigate PPI: from drug design to tissue engineering

JJ Perez, RA Perez, A Perez - Frontiers in Molecular Biosciences, 2021 - frontiersin.org
… We review computational approaches used to understand and … first time in the seminal study
of the complex of the human … to carry out systematic analysis of optimal sequence design to …