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4ACP.py
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4ACP.py
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import numpy as np
from sklearn.neural_network import MLPClassifier
from sklearn import svm
from sklearn.tree import DecisionTreeClassifier
from sklearn.ensemble import RandomForestClassifier
from sklearn.ensemble import ExtraTreesClassifier
from sklearn.metrics import precision_recall_fscore_support, accuracy_score
from sklearn.metrics import matthews_corrcoef
from sklearn.metrics import confusion_matrix
import pickle
def prepare_feature_acp740():
label = []
protein_seq_dict = {}
protein_index = 0
with open('acp740.txt', 'r') as fp:
for line in fp:
if line[0] == '>':
values = line[1:].strip().split('|')
label_temp = values[1]
# proteinName = values[0]
if label_temp == '1':
label.append(1)
else:
label.append(0)
else:
seq = line[:-1]
protein_seq_dict[protein_index] = seq
protein_index = protein_index + 1
bpf=[]
for i in protein_seq_dict: # and protein_fea_dict.has_key(protein) and RNA_fea_dict.has_key(RNA):
bpf_feature = BPF(protein_seq_dict[i])
bpf.append(bpf_feature)
return np.array(bpf), label
def prepare_feature_acp240():
label = []
protein_seq_dict = {}
protein_index = 1
with open('acp240.txt', 'r') as fp:
for line in fp:
if line[0] == '>':
values = line[1:].strip().split('|')
label_temp = values[1]
# protein = values[0]
if label_temp=='1':
label.append(1)
else:
label.append(0)
else:
seq = line[:-1]
protein_seq_dict[protein_index] = seq
protein_index = protein_index + 1
bpf = []
# get protein feature
for i in protein_seq_dict: # and protein_fea_dict.has_key(protein) and RNA_fea_dict.has_key(RNA):
bpf_feature = BPF(protein_seq_dict[i])
bpf.append(bpf_feature)
protein_index = protein_index + 1
return np.array(bpf), label
def BPF(seq_temp):
seq = seq_temp
# chars = ['A', 'C', 'D', 'E', 'F', 'G', 'H', 'I', 'K', 'L', 'M', 'N', 'P', 'Q', 'R', 'S', 'T', 'V', 'W', 'Y']
fea = []
tem_vec =[]
k = 7
for i in range(k):
if seq[i] =='A':
tem_vec = [1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
elif seq[i]=='C':
tem_vec = [0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
elif seq[i]=='D':
tem_vec = [0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
elif seq[i]=='E':
tem_vec = [0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
elif seq[i]=='F':
tem_vec = [0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
elif seq[i]=='G':
tem_vec = [0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
elif seq[i]=='H':
tem_vec = [0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0]
elif seq[i]=='I':
tem_vec = [0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0]
elif seq[i]=='K':
tem_vec = [0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0]
elif seq[i]=='L':
tem_vec = [0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0]
elif seq[i]=='M':
tem_vec = [0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0]
elif seq[i]=='N':
tem_vec = [0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0]
elif seq[i]=='P':
tem_vec = [0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0]
elif seq[i]=='Q':
tem_vec = [0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0]
elif seq[i]=='R':
tem_vec = [0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0]
elif seq[i]=='S':
tem_vec = [0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0]
elif seq[i]=='T':
tem_vec = [0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0]
elif seq[i]=='V':
tem_vec = [0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0]
elif seq[i]=='W':
tem_vec = [0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0]
elif seq[i]=='Y':
tem_vec = [0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1]
fea = fea + tem_vec
return fea
def calculate_performace(test_num, pred_y, labels):
tp = 0
fp = 0
tn = 0
fn = 0
for index in range(test_num):
if labels[index] == 1:
if labels[index] == pred_y[index]:
tp = tp + 1
else:
fn = fn + 1
else:
if labels[index] == pred_y[index]:
tn = tn + 1
else:
fp = fp + 1
acc = float(tp + tn) / test_num
precision = float(tp) / (tp + fp)
sensitivity = float(tp) / (tp + fn)
specificity = float(tn) / (tn + fp)
MCC = float(tp * tn - fp * fn) / (np.sqrt((tp + fp) * (tp + fn) * (tn + fp) * (tn + fn)))
return acc, precision, sensitivity, specificity, MCC
def ACP_DL():
# define parameters
num_cross_val = 5 # 5-fold
all_performance_lstm = []
# all_labels = []
all_prob = {}
all_prob[0] = []
for fold in range(num_cross_val):
train = np.array([x for i, x in enumerate(X) if i % num_cross_val != fold])
test = np.array([x for i, x in enumerate(X) if i % num_cross_val == fold])
train_label = np.array([x for i, x in enumerate(label) if i % num_cross_val != fold])
test_label = np.array([x for i, x in enumerate(label) if i % num_cross_val == fold])
real_labels = []
for val in test_label:
if val == 1:
real_labels.append(1)
else:
real_labels.append(0)
# ACP740 # ACP240
# clf = MLPClassifier(hidden_layer_sizes=(100,100,100,100,100,100),alpha = 0.01, random_state=0)
# clf = RandomForestClassifier(random_state=0)
# clf = ExtraTreesClassifier(random_state=0)
clf = DecisionTreeClassifier(random_state=0)
# clf = svm.SVC(probability = True, random_state=0)
model = clf.fit(train, train_label)
y_pred_xgb = model.predict(test)
acc, precision, sensitivity, specificity, MCC = calculate_performace(len(real_labels), y_pred_xgb, real_labels)
print(acc, precision, sensitivity, specificity, MCC)
all_performance_lstm.append([acc, precision, sensitivity, specificity, MCC])
print('mean performance of ACP_DL')
print(np.mean(np.array(all_performance_lstm), axis=0))
dataset = 1#1.acp740 2.acp240
peptidelen = 40#50 #60
if dataset == 1:
# delta = 0.02 #acp740
# augtimes = 1
bpf, label = prepare_feature_acp740()
if peptidelen == 40:
data = pickle.load(open('data740_40_50.pkl', 'rb'))
elif peptidelen == 50:
data = pickle.load(open('data740_50_50.pkl', 'rb'))
elif peptidelen == 60:
data = pickle.load(open('data740_60_50.pkl', 'rb'))
else:
# delta = 0.005 #acp240
# augtimes = 3
bpf, label = prepare_feature_acp240()
if peptidelen == 40:
data = pickle.load(open('data240_40_50.pkl', 'rb'))
elif peptidelen == 50:
data = pickle.load(open('data240_50_50.pkl', 'rb'))
elif peptidelen == 60:
data = pickle.load(open('data240_60_50.pkl', 'rb'))
X_aa = data['X']
X_aa = np.array(X_aa)
X = np.concatenate((bpf, X_aa), axis=1)
ACP_DL()