A High Performance Cloud-Based Protein-Ligand Docking Prediction Algorithm

Table 1

Comparison of the proposed algorithm with the other docking prediction algorithms.

Islands	1	2	4	8	16	32
Chromosomes	256	128	64	32	16	8
DE (island model)
Initialization	0.11%	0.13%	0.34%	0.53%	1.34%	2.63%
Mutation	2.39%	2.44%	2.36%	2.37%	2.76%	2.72%
Evaluation	0.61%	0.71%	0.68%	0.66%	0.77%	0.64%
Local search	96.88%	93.92%	90.13%	82.86%	70.59%	48.69%
Send and receive	0.00%	3.51%	7.17%	14.24%	23.31%	43.96%
Success rate	22.86%	27.14%	30.71%	33.57%	40.71%	39.29%
Average time	1,726.52	995.23	506.34	251.93	154.33	104.07
PSO (island model)
Initialization	0.07%	0.14%	0.26%	0.78%	1.56%	3.12%
Evaluation	2.37%	2.75%	2.74%	2.11%	3.28%	2.94%
Local search	97.55%	95.44%	94.61%	90.96%	82.4%	52.69%
Send and receive	0.00%	1.68%	2.39%	6.15%	13.02%	26.14%
Success rate	17.86%	21.43%	25.00%	31.43%	35.71%	32.14%
Average time	284.41	176.39	87.39	42.94	28.15	18.78
PGA (island model)
Initialization	0.20%	0.29%	0.68%	0.94%	0.90%	0.90%
Selection	0.20%	0.34%	0.68%	0.94%	0.90%	0.90%
Crossover	0.01%	0.01%	0.01%	0.01%	0.01%	0.01%
Mutation	0.01%	0.01%	0.01%	3.86%	0.10%	0.01%
Evaluation	0.98%	1.69%	3.41%	4.72%	4.44%	4.50%
Local search	98.63%	88.95%	76.72%	62.57%	26.22%	22.20%
Send and receive	0.00%	8.98%	18.29%	28.50%	67.28%	71.35%
Success rate	15.00%	19.29%	21.43%	28.54%	34.29%	27.14%
Average time	572.74	330.71	168.07	84.33	50.14	33.59
FCPLDPA without PR
Initialization	—	0.34%	0.68%	0.94%	0.90%	0.90%
Selection	—	0.34%	0.68%	0.94%	0.90%	0.90%
Crossover	—	0.01%	0.01%	0.01%	0.01%	0.01%
Mutation	—	0.01%	0.01%	1.29%	0.01%	0.01%
Evaluation	—	1.78%	3.74%	5.26%	5.19%	5.89%
Local search	—	93.35%	84.13%	69.61%	30.69%	26.67%
Send and receive	—	4.43%	10.41%	19.42%	61.69%	65.61%
Success rate	—	25.00%	25.71%	30.71%	37.14%	32.14%
Average time	—	313.49	153.78	75.90	42.69	30.54
FCPLDPA with PR
Initialization	—	0.34%	0.68%	0.86%	0.90%	0.90%
Selection	—	0.31%	0.68%	0.83%	0.90%	0.90%
Crossover	—	0.01%	0.01%	0.01%	0.01%	0.01%
Mutation	—	0.01%	0.01%	1.43%	0.01%	0.01%
Evaluation	—	1.78%	3.75%	5.02%	4.06%	5.96%
Local search	—	93.20%	83.59%	70.60%	32.66%	28.50%
Send and receive	—	4.48%	10.24%	20.88%	61.17%	64.09%
Success rate	—	27.86%	32.14%	40.00%	47.14%	45.71%
Average time	—	320.91	156.19	77.56	44.07	33.49