Drug-likeness is a key consideration when selecting compounds during the early stages of drug discovery. However, evaluation of drug-likeness in absolute terms does not reflect adequately the whole spectrum of compound quality. More worryingly, widely used rules may inadvertently foster undesirable molecular property inflation as they permit the encroachment of rule-compliant compounds towards their boundaries. We propose a measure of drug-likeness

The text mining of patents of pharmaceutical interest poses a number of unique challenges not encountered in other fields of text mining. Unlike fields, such as bioinformatics, where the number of terms of interest is enumerable and essentially static, systematic chemical nomenclature can describe an infinite number of molecules. Hence, the dictionary- and ontology-based techniques that are commonly used for gene names, diseases, species, etc., have

A chemical method for the production of thin ZnO films by using a chemical precipitation technique is presented in this paper. The method consists in obtaining the thin ZnO films (300-500 nm) by thermal decomposition of zinc hydroxide formed by the precipitating of zinc acetate from alkaline solution, in the presence of ethylenediamine on a solid support i.e. glass. The use of this method implies investment economies, and the simplicity of the work

Gentamicin–hydrotalcite-like anionic clays nanocomposites were synthesized by using the direct co-precipitation method. XRD, XPS and FTIR analysis reveal that for the hydrotalcite-like sample, the drug is adsorbed only on the anionic clay surface, whereas for copper, partially substituted hydrotalcite gentamicin is detected also in the clay interlayer. The affinity of gentamicin to form complexes with some transition metals such as iron and copper

Polymer–zeolite nanocomposite membrane separations represent a growing technological area with potentially high economic reward due to the low energy requirements. The use of polymer–zeolite nanocomposite membrane with incorporated zeolite nanocrystals has the potential to combine the advantages of polymers and zeolites while overcoming the shortcomings of both materials. This work focuses on the use of zeolite SAPO-5 nanocrystals for the preparation

The coating of titanium and its alloys with hydroxyapatite (HA) by various methods was presented. The vacuum deposition, plasma spraying, sol-gel and coating, electrolytic methods were used.

The SAPO-5 zeolite-filled polyurethane membranes with perselectivity to the gases or liquids were prepared, characterized and utilized for the ultra- and, respectively, microfiltration (UF + MF) of synthetic wastewater containing colophony. The influence of the colloidal dispersion concentration on the membrane processes has been followed. Also, the conversion degree of colophony colloidal dispersions has been studied versus light diffusion through

The nature of the metal (Mg and/or Fe) salts, used as precursors during the synthesis process of layered double hydroxides, is used as a controlled variable synthesis parameter to obtain iron-containing anionic clay matrices with specific properties. The XRD and N2 adsorption at 77 K analyses indicate that the structural and the textural features of the synthesized clays are influenced by the use of chloride, sulphate or nitrate, as different salts