Modified Zagreb Index Calculator

inverse-square degree sum

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About Modified Zagreb Index Calculator

A modified first Zagreb index calculator computing ⁰M₁(G) = Σ 1/d(v)². Nikolić-Kovačević-Miličević-Trinajstić (2003). Inverse-square degree sum. ⁰M₁ emphasizes low-degree vertices. Better QSAR for some molecular properties. Client-side.

Modified Zagreb Index Calculator Features

  • ⁰M₁(G)
  • Σ1/d²
  • Inverse
  • Nikolić '03
  • Common graphs
Modified first Zagreb ⁰M₁(G) = Σ 1/d(v)². Inverse-square of degree: low-degree vertices dominate. Nikolić et al. (2003). Complementary to M₁ = Σd². While M₁ emphasizes hubs, ⁰M₁ emphasizes peripheral atoms.

How to Use

Select graph:

  • ⁰M₁: Modified Zagreb
  • 1/d²: Per vertex
  • vs M₁: Compare

⁰M₁ vs M₁

M₁ = Σd²: hub-centric. ⁰M₁ = Σ1/d²: leaf-centric. For star K_{1,n-1}: M₁ = (n-1)² + (n-1), ⁰M₁ = 1/(n-1)² + (n-1). Completely different perspectives on the same graph.

Bounds

⁰M₁(K_n) = n/(n-1)². ⁰M₁(star) ≈ n-1 (many leaves). ⁰M₁ ≥ n/Δ². For regular: ⁰M₁ = n/d².

Step-by-Step Instructions

  1. 1Select graph.
  2. 2For each vertex: 1/d(v)².
  3. 3Sum all terms.
  4. 4Compare with M₁.
  5. 5Assess leaf emphasis.

Modified Zagreb Index Calculator — Frequently Asked Questions

Why inverse-square?+

1/d² penalizes high degree strongly: degree-10 vertex contributes 0.01, degree-1 vertex contributes 1. This makes ⁰M₁ dominated by low-degree vertices — useful for predicting properties related to molecular endpoints.

⁰M₁ vs ID (inverse degree)?+

ID = Σ1/d (linear inverse). ⁰M₁ = Σ1/d² (quadratic inverse). ⁰M₁ penalizes high degree even more. The difference: ID = 'mild' leaf emphasis, ⁰M₁ = 'strong' leaf emphasis.

QSAR performance?+

⁰M₁ outperforms M₁ for predicting properties of heteroatom-containing molecules. When peripheral atoms carry functional groups, their emphasis via 1/d² improves predictions.

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