Neighbourhood Degree-Based Topological Indices for GERD Drug Compounds

Neighbourhood degree-based topological indices computed from molecular graph representations of drug compounds used in the treatment of Gastroesophageal Reflux Disease (GERD). The dataset was authored by Mythili V and last updated on 2026-04-19. Each row corresponds to a molecular compound and includes calculated degree-based descriptors.

Use Cases

• Predicting biological activity of GERD drug candidates based on neighbourhood degree-based topological indices.
• Modeling molecular properties for drug design using indices like the Zagreb, Randić, and Harmonic indices.
• Building quantitative structure-activity relationship (QSAR) models with graph-derived molecular descriptors.

Strengths

• Dataset is licensed under CC-BY-4.0, allowing for open sharing and reuse.
• Description explicitly lists potential indices such as the First Zagreb, Second Zagreb, Randić, Harmonic, ABC, and GA indices.

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.
• Last updated 2026-04-19 13:25:26; freshness should be verified.

Provenance

Source

figshare

Collection Method

Indices were computed from molecular graph representations.

Freshness

Last updated 2026-04-19 13:25:26.