15 Aegle Marmelos Phytochemicals with QSPR Models and MCDM Rankings

15 key phytochemicals from Aegle marmelos (Bael Patra) were analyzed using an integrated computational framework. The dataset, created by Aditya Narayan Bhandari and last updated in April 2026, contains results from quantitative structure-property relationship (QSPR) models and multi-criteria decision-making (MCDM) rankings. Six physicochemical properties were modeled using 16 adriatic topological indices, with models achieving R² ≥ 0.99.

Use Cases

• Prioritizing plant-derived compounds for drug discovery based on physicochemical property predictions.
• Comparing ranking consistency across VIKOR, SAW, and TOPSIS multi-criteria decision-making methods.
• Analyzing the influence of topological indices like the inverse sum indeg (ISI) on property predictability.
• Developing or validating QSPR models for molecular weight, topological polar surface area, and other key properties.

Strengths

• Models for six physicochemical properties achieved high predictive accuracy with R² ≥ 0.99.
• The integrated framework links regression-based descriptor importance with three distinct MCDM techniques.
• The dataset is small (37.1 KB), facilitating quick download and inspection.

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.
• The dataset's scope is limited to 15 specific phytochemicals from a single plant species.

Provenance

Source

figshare

Collection Method

Computational analysis using QSPR modeling and MCDM techniques on phytochemical data.

Time Range

Publication date suggests data is from a 2026 study.

Freshness

Last updated 2026-04-10 06:00:04; freshness should be verified.

Geography

Phytochemicals are derived from Aegle marmelos, a plant species.