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Multi Objective Property Optimization & MPO Training | Multi Parameter Design & Scoring

NTHRYS >> Services >> Academic Services >> Training Programs >> Bioinformatics Training >> Cheminformatics, ADMET & Computational Toxicology >> Multi Objective Property Optimization & MPO Training | Multi Parameter Design & Scoring

Multi Objective Property Optimization & MPO — Hands-on

Build an intuitive understanding of multi objective property optimization (MPO) for discovery projects. You will organise series level data, define simple multi property goals, construct MPO style scores and use visual maps and grids to communicate balanced design suggestions to project teams.

Multi Objective Property Optimization & MPO
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Session 1
Fee: Rs 8800
Multi Objective Design & MPO Concepts
  • Why multi objective thinking is needed in discovery
  • potency vs developability tradeoffs selectivity and safety dimensions series level decision context
  • MPO concepts at a qualitative level
  • multi property profiles not single numbers good enough regions vs extremes project specific objectives
  • Typical properties that enter MPO style discussions
  • potency and basic selectivity solubility, permeability ideas simple clearance and risk flags
Session 2
Fee: Rs 11800
Property Space, Scores & Desirability Ideas
  • Exploring multi property space for a series
  • scatterplot views of properties regions of interest on plots outliers and gaps
  • Simple scoring and desirability curve concepts
  • transforming raw values to 0–1 scales (idea) soft bounds and preferred ranges weighting dimensions conceptually
  • From single property views to composite MPO style scores
  • simple aggregated scores ranking and grouping compounds caveats and interpretation limits
Session 3
Fee: Rs 14800
MPO Workflows, Grids & Visual Maps
  • Simple MPO style workflows for series review
  • curate property table inputs calculate basic scores prepare summary views
  • MPO grids and heatmap style views
  • compound vs property tiles traffic light patterns quick visual ranking cues
  • Communicating MPO results to non specialist teams
  • concise plots and tables clear caveats and narrative non prescriptive design language
Session 4
Fee: Rs 18800
Mini Capstone: MPO Summary for a Series
  • Prepare an MPO style view for a small compound series
  • Theory + Practical
  • Create grids and plots that highlight balanced candidates
  • MPO style grid or heatmap top tier vs mid tier groups simple traffic light summary
  • Deliverables: MPO table, plots and short narrative note
  • spreadsheet with scores 1–2 overview figures PDF/HTML summary for team use


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