XV Chemometrics in Analytical Chemistry

SCIENTIFIC TOPICS ·Chemometrics in “omics” technologies (Genomics, transcriptomics, proteomics, metabolomics, metabonomics, evaluation of microarray data, etc.) ·Multivariate curve resolution (Theoretical aspects, self modeling curve resolution, alternative least squares, unmixing, new developments, etc.) ·Multivariate calibration (Multivariate calibration, variable (feature) selection, optimization, and their applications in near infrared, Raman spectroscopy etc.) ·Pattern recognition, classification and clustering (Supervised, unspervised and emsemble learning, etc.) ·Model validation (All aspect of model validations, model selection, handling uncertainity, cross validation, re-sampling techniques, permutation test, external validation, etc.) ·Chemometrics in industry (Process analytical technologies, multivariate process control, process monitoring, experimental design, bilinear models, hard modeling, applications, etc.) ·Bioinformatics in Chemistry, Pharmaceutics and Medicines ·Quantitative structure-activity relationships (QSAR) and drug discovery (Quantitative structure-property relationships (QSPR), variable (feature) selection, topological descriptors, computer aided drug design, molecular modeling,high-throughput screening, etc.) ·New algorithms and software development (Data mining, swarm intelligence, optimization, signal processing, Kernel methods, large data sets, missing data, etc.) ·Application of chemometrics to chromatography and spectroscopy (Baseline correction, peak alignment, smoothing, resolution, etc.)