Untargeted Metabolomics Discovery Pipelines — Hands-on

Design and run complete untargeted metabolomics discovery pipelines. You will connect LC MS feature extraction, QC and normalization with multivariate statistics, hit selection and annotation ready outputs that support biological discovery and follow up validation.

Untargeted Metabolomics Discovery Pipelines

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Session Index

Session 1 — Untargeted Workflow Overview & Data Flow Session 2 — Feature Matrices, QC & Normalization Session 3 — Multivariate Statistics & Hit Finding Session 4 — Annotation, Reporting & Review

Session 1

Fee: Rs 8800

Untargeted Workflow Overview & Data Flow

Goals of untargeted metabolomics discovery

pattern discovery biomarker hypothesis generation mechanistic clues

End to end pipeline building blocks

raw to mzML to feature table QC and normalization statistics and annotation loop

Data model and file organization for projects

raw data and processed data folders metadata sheets analysis notebooks and reports

Session 2

Fee: Rs 11800

Feature Matrices, QC & Normalization

From feature tables to analysis ready matrices

samples by features layout linking to sample metadata basic completeness checks

Quality checks using QC and blanks

RSD filters on pooled QC blank subtraction rules intensity drift patterns

Normalization and transformation options

total area and probabilistic quotient internal standard based log and scaling choices

Session 3

Fee: Rs 14800

Multivariate Statistics & Hit Finding

Exploratory analysis and batch assessment

PCA score plots QC clustering outlier detection

Supervised models for group separation

PLS DA style thinking cross validation awareness overfitting pitfalls

Feature ranking and candidate hit lists

univariate tests and FDR effect sizes and fold changes multi metric ranking tables

Session 4

Fee: Rs 18800

Annotation, Reporting & Review

Preparing feature lists for annotation tools

export formats and required columns

Visual summaries for stakeholders

volcano plots heatmaps pathway level summaries

Documenting pipeline and decisions

parameter manifests notebooks and reports checklist for internal review

PDF

Untargeted Metabolomics Discovery Pipelines Training | LC MS Feature Matrices & Discovery Statistics

Untargeted Metabolomics Discovery Pipelines — Hands-on