Experimental and estimated MIC values of the training set compounds based on the best pharmacophore hypotheses Hypo 1.

Training set compounds		MIC value (μg ml−1)		Fit value	Errorb
Structure	Name	Experimentala	Estimated
	Gemifloxacin	0.01	0.0097976	5.96258	−1.02065
	Sparfloxacin	0.0125	0.0189725	5.67557	1.5178
	Ciprofloxacin	0.015	0.0289285	5.49237	1.92857
	Zabofloxacin	0.015	0.0152749	5.76972	1.01833
	Levofloxacin	0.022	0.011427	4.8766	−1.84213
	Moxifloxacin	0.025	0.0172101	5.71792	−1.45264
	Trovafloxacin	0.025	0.0238815	5.57564	−1.04684
	Ofloxacin	0.062	0.0719427	4.8766	1.92624
	Norfloxacin	0.094	0.0637224	5.14941	−1.47515
	Enoxacin	0.1	0.074975	5.07878	−1.33378

^a Ref. 3,32–37.

^bPositive value indicates that the estimated MIC value is higher than the experimental MIC value; the negative value indicates that the estimated MIC value is lower than the experimental MIC value.