Data Curation, Standardization & FAIR Chemistry — Hands-on

Learn how to clean, standardize and document chemical data so that it is consistent, reusable and FAIR. You will practice structure normalization, identifier alignment, metadata capture and simple registry style workflows to support robust cheminformatics, ADMET and safety analytics across projects.

Data Curation, Standardization & FAIR Chemistry

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Session Index

Session 1 — Chemical Data Quality & Curation Foundations Session 2 — Standardization, Normalization & Identifiers Session 3 — Metadata, Registries & FAIR Chemistry Workflows Session 4 — Mini Capstone: FAIR Ready Cheminformatics Dataset

Session 1

Fee: Rs 8800

Chemical Data Quality & Curation Foundations

Why chemical data quality matters for analytics

impact on QSAR, VS and ADMET reproducibility and traceability series level decision support

Common issues in raw chemical datasets

duplicates and near duplicates missing or inconsistent fields structure and ID mismatches

Conceptual workflow for chemical data curation

ingest and profiling clean, standardize, document version and share safely

Session 2

Fee: Rs 11800

Standardization, Normalization & Identifiers

Chemical structure standardization concepts

salts, mixtures, tautomers ideas charge and valence checks structure normalization flow

Identifiers and cross links (conceptual overview)

SMILES, InChI, InChIKey internal vs external IDs mapping tables and checks

Normalization of assay and property fields

units and scale consistency value ranges and flags simple QC summaries

Session 3

Fee: Rs 14800

Metadata, Registries & FAIR Chemistry Workflows

Metadata for chemical and assay datasets

who, what, when, how fields simple templates and checklists linking to protocols conceptually

Registry style thinking (high level, conceptual)

unique keys for structures history and version notions simple change tracking ideas

FAIR chemistry principles applied in practice (overview)

findable and accessible datasets interoperable formats reusable with clear context

Session 4

Fee: Rs 18800

Mini Capstone: FAIR Ready Cheminformatics Dataset

Clean and standardize a small chemical dataset

Theory + Practical

Apply identifiers, metadata and simple registry ideas

structure and ID alignment table metadata and QC summary sheet basic versioning snapshot

Deliverables: FAIR style dataset bundle and short note

curated data file README and metadata template PDF/HTML description summary

PDF

Data Curation, Standardization & FAIR Chemistry Training | Clean, Connected Chemical Data

Data Curation, Standardization & FAIR Chemistry — Hands-on