. Author manuscript; available in PMC: 2012 Mar 28.

Published in final edited form as: J Chem Inf Model. 2011 Mar 7;51(3):521–531. doi: 10.1021/ci100399j

Table 4.

The prediction accuracy for across-target ligand functionality prediction for 5-HT receptor subtypes based on 5-HT_1a LiCABEDS model

Receptor	Accuracy for agonists	Accuracy for antagonists	Overall accuracy	Blastp similarity score^a	Sybyl similarity score^b
Human 5-HT_1B	0.875	0.816	0.859	304	397.80
Human 5-HT_1D	0.812	0.609	0.745	279	393.60
Human 5-HT_4R	0.826	0.267	0.559	142	340.90

Blastp similarity score is calculated by blastp using default scoring parameters

Sybyl similarity score is calculated by Sybyl Biopolymer²⁹ using “pmutation” scoring matrix.