Lead Finding and Optimization

An ideal drug must be safe and effective. The mavimum daily dose should not exceed 200-300 mg. Drugs should be well absorbed orally and bioavailablc. Metabolic stability ensures a reasonable long half-life. Further on, a drug should be non- 

Chemoinformati.cs is involved in the drug discovery process in both the lead finding and lead optimization steps. Artificial neural networks can play a decisive role of various stages in this process cf. Section 10.4.7.1). 

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G. Folkers, Eds., Computer-Assisted Lead Finding and Optimization, Wiley-VCH, Weinheim, 1997, pp. 367-378. 

Raevsky, 0. A. Hydrogen bond strength estimation by means of HYBOT. In Computer-Assisted Lead Finding and Optimization, Van de Waterbeemd, H., Testa, B., Folkers, G. (eds.), Wiley-VGH, Weinheim, 1997, pp. 357-378. 

Raevsky, O., Hydrogen bond strength estimation by means of the HYBOT program package, in Computer-assisted lead finding and optimization, H. van de Waterbeemd, B. Testa and G. Folkers, eds, Verlag Helvetica Chimica Acta, Basel, 1997, 367-378. 

The Use of Spin Labels in NMR-Supported Lead Finding and Optimization... 

Lundstedt, T., Andersson, P.M., Clementi, S., Cruciani, G., Kettaneh, N., Linusson, A., Norden, B., Pastor, M., Sjostrom, M. and Wold, S. Intelligent Combinatorial Libraries. In Computer-Assisted Lead Finding and Optimization Ed. H. van de Waterbeemd, Verlag Helvetica Chimica Acta. Basel, Switzerland, 1997, 191-208. 

T. Liljefors, in Computer-Assisted Lead Finding and Optimization (Proceedings of the 11th European Symposium on Quantitative Structure-Activily Relationships, Lausanne 1996),... 

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