Empirical scores

Bdhm H-J 1994 The development of a simple empirical scoring function to estimate the binding constant for a protein-ligand complex of known three-dimensional structure J. Comp.-Aided Mol. Design 8 243-56... 

Fred (Openeye Software) conformational ensembles Gaussian or empirical score... 

ICM [64] pseudo-Brownian sampling and local minimization mbced force field and empirical score... 

I-J 1994. The Development of a Simple Empirical Scoring Fimction to Estimate the Binding istant for a Protein-ligand Complex of Known Three-Dimensional Structure. Journal of nputer-Aided Molecular Design 8 243-256. 

Eldridge M D, C W Murray, T R Auton, G V Paoliniand R P Mee 1997. Empirical Scoring Functions 1 The Development of a Fast Empirical Scoring Fimction to Estimate the Binding Affinity of Ligand in Receptor Complexes. Journal of Computer-Aided Molecular Design 11 425-445. 

H. J. BOhm and M. Stahl, Rapid empirical scoring functions in virtual screening... 

H. J. Bohm, The development of a simple empirical scoring function to estimate the... 

Murray, C.W., Auton, T.R., and Eldridge, M.D. Empirical scoring functions. 11. The testing of an empirical scoring function for the prediction of ligand-receptor affinities and the use of... 

Irritant The term refers to a chemical, which is not corrosive, but which causes a reversible inflammatory effect on living tissue by chemical action at the site of contact. A chemical is a skin irritant if, when tested on the intact skin of albino rabbits by the methods of 16 CFR 1500.41 for four hours exposure or by other appropriate techniques, it results in an empirical score of five or more. A chemical is an eye irritant if so determined under the procedure listed in 16 CFR 1500.42 or other appropriate techniques. 

Eldridge M.D., Murray C.W., Auton T.R., et al. Empirical scoring functions. 1. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes. J. Comput.-AidedMol. Des. 1997, 11, 425 145. 

Wang, R. X., Lai, L. H., and Wang, S. M. (2002) Further development and validation of empirical scoring functions for structure-based binding affinity prediction. J. Comput. Aided Mol. Des. 16,11-26. 

---