# Bitter or not? — Data

来源：https://www.kaggle.com/competitions/bitter-or-not/data

采集时间：2026-10-20T07:09:25Z

You are provided with data about the taste of different molecules divided into bitter, or not. The task is to design a robust Machine-Learning Model which can learn from this data and predict whether a given molecule is bitter or not.

## Files

*   **train.tsv** - the training set
*   **test.tsv** - the test set 
*   **sample_submission.csv** - a sample submission file in the correct format


## Columns

*   `ID` - Unique identifier assigned to a compound
*   `SMILES` - Structure of molecule in SMILES format. SMILES (Simplified Molecular Input Line Entry System) is a chemical notation that allows a user to represent a chemical structure in a way the computer can use. SMILES is a quickly learned and flexible notation.
*   `Canonical SMILES` -  Canonical SMILES gives a single ‘canonical’ form for any particular molecule.
*   `Bitter` - Contains binary values (True ,False) to tell if the molecule is bitter or not. 

## Data Source
This dataset is part of the Complex Systems Laboratory's (IIIT-Delhi) Computational Gastronomy repository. URL: https://cosylab.iiitd.edu.in/