# Data Bounty -4 : Molecule Feature Regression — Data

来源：https://www.kaggle.com/competitions/data-bounty-4-molecule-feature-regression/data

采集时间：2026-10-20T02:52:35Z

This intial dataset contains 5,000 unique chemical compounds represented using the SMILES notation. Each SMILES string encodes the molecular structure of a compound in a compact, textual format suitable for computational processing.

**SMILES:**Simplified Molecular Input Line Entry System strings that represent chemical structures. These are text-based notations that encode molecular structures as linear strings, making them easy to process computationally.

**X:** Numerical value associated with each chemical compound, it will be our scope of regression.

**Hint :** This feature is a direct numerical feature related to the chemical compouned, and some specific parts in the graphical representation of the smiles help in accruatly detecting it.