ALOGPS program

Figure 8.2 Prediction accuracy of ALOGPS" program as a function of a property-based similarity of a molecule to the training set compounds (MAE = mean absolute error).

Figure 8.3 MAE and percentage of compounds predicted with ALOGPS program for the National Cancer Institute and two commercial providers. ...

Several methods considered in this article, such as the quantum-chemical approaches developed by Clark et al. [51,113,114] or the ALOGPS program [99], provide an estimation of the accuracy of model predictions. Other approaches to estimate accuracy of model predictions were reviewed elsewhere [99,141],... 

Tetko, I. V., Tandiuk, V. Y. Application of associative neural networks for prediction of lipophilicity in ALOGPS 2.1 program. 

Tetko, I.V. and Tanchuk, V.Y. (2002) Application of associative neuronal networks for the prediction of Lipophilicity in ALOGPS 2.1 program. Journal of Chemical Information and Computer Sciences, 42, 1136-1145. 

Calculation of ALOGP is provided by a number of software programs, such as DRAGON, MOLCAD, PROLOGP, and TSAR. 

I.V. Tetko, V.Y. Tanchuk, Application of associative neural networks for prediction of lipophilic ity in ALOGPS 2.1 program,/. Chem. Inf. Comput. Sci. 2002, 42,1136-1145, http //146.107. 217.178/lab/alogps/index.html. 

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