Lead finding

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

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). 

Diverse libraries can be used for lead finding by screening against several different targets. The selected compounds should cover the biological activity space well. 

Chemoinformatics is primarily used for the steps of lead finding and lead optimization within the drug discovery process. In particular the following tasks are involved ... 

C03-0086. When galena, an ore of lead that contains only Pb and S, is heated in oxygen, the ore decomposes to produce pure lead. In one such process, 7.85 g of galena gave 6.80 g of lead. Find the empirical formula of galena. 

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. 

Combinatorial Chemistry is a set of HTS methods applied in the pharmaceutical industry, mainly aiming at lead-finding in terms of "yes/no" answers. The number of experiments is typically of the order of a million per annum. 

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. 

Fig. 9. Peptidomimetic design principle of SH2 antagonists derived from a fragmentation of the native peptide ligand. The lead finding efforts discussed in Sect. 3 are classified according to the modules given above the peptide lead sequence...

After the discussion of several approaches aimed at substituting the metaboli-cally unstable pTyr l,the following sections will introduce lead finding and opti-... 

Even though the strictness for a phosphorylated Tyr sidechain seems less pronounced for PTB domains [179], a modular peptidomimetics-based lead finding strategy could profit immediately by the knowledge and experiences gathered in SH2 domain-targeted medicinal chemistry projects. 

Solid-phase synthesis for small organic compounds is widely used in research and academia for rapid lead finding and lead optimisation. The... 

D. A. Smith, Comput-Assist. Lead Finding Opt. Curr. Tools Med. Chem., 1997, 267. 

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

Among several other techniques, NMR spectroscopy has high potential to support the drug discovery process. NMR can be used both in lead finding and lead optimization, by addressing the following questions ... 

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