HIGHLIGHTS
SUMMARY
The search domain ⊂ R6 for the optimization problem, is ==[0, 2π] × × × × ×. In Table 1, the authors include, for each query, the target with the best value for electrostatic similarity (TcE ) found by OptiPharm Robust (see15) and the one obtained by 2L-GO-Pharm. In Fig 9a, the authors compare this query DB00381 with the target molecule DB01023, which obtains the best value of electrostatic similarity according to 2L-GO-Pharm, TcE=0.432. This example shown in Fig 9 illustrates that 2L-GO-Pharm is able to obtain compounds and electrostatic similarity scores which . . .
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