Dataset and Data treatment for Data mining Raman Microspectroscopic Responses of Cells to Drugs in Vitro using Multivariate Curve Resolution-Alternating Least Squares

Matlab scripts for the simulation and treatment of Raman datasets obtained from time dependent experiments Using MCR-ALS.

- SIMULATED DATA: Simulated data is obtained by adding spectra of  artificially generated  responses (weighted considering artificially generated time profiles) to an experimental cell spectrum (Initial component) Three Different Scenarios are generated. 

Spectral and time profiles are obtained from here: 

- EXPERIMENTAL DATA: DOX dataset obtained from here

https://doi.org/10.1002/jbio.201800328

- DATA ANALYSIS INSTRUCTIONS

Run datatreatment.m