kmeans聚类——化学分子聚类实战_根据物化性质对分子结构聚类

案列中数据链接：https://pan.baidu.com/s/1kpNdwBNmyObbZP96KLidgA 
提取码：1234 

keggle原数据链接：https://pan.baidu.com/s/1MI_4HhHxaGlUIigEb1F6mA 
提取码：1234

# coding=utf-8
#导入相关库文件并读取数据，（sklearn库文件较多，可在后续使用过程中导入）
import pandas as pd
from pandas import DataFrame
import numpy  as np
import matplotlib.pyplot as plt 
import seaborn as sns
from sklearn import preprocessing
from sklearn.preprocessing import MinMaxScaler
from sklearn.model_selection import train_test_split
from sklearn.cluster import KMeans
from sklearn.metrics import r2_score
data =pd.read_excel("C:/Users/asus/Desktop/宝贝儿论文/案列数据.xlsx") 
data