Titlebook: Chemoinformatics; Concepts, Methods, a Jürgen Bajorath Book 2004 Humana Press 2004

Sleep-Paralysis

Sandipan Ghosh,Sanat Kumar Guchhait realm of high-throughput screening (HTS) where large pharmaceutical companies historically test many hundreds of thousands of compounds in the search for new drug leads. As a result of this pressure the old mantra of “screen them all” is rapidly becoming a phrase of the past and the search for new,

FLIC

Evelyn Deshane,R. Travis Mortonferent QSAR methodologies, deciding which QSAR method to use depends on the composition of system of interest and the desired results. The relationship between a compound’s binding affinity/activity to its structural properties was first noted in the 1930s by Hammett (.,.) and later refined by Hansc

corpus-callosum

阻挠

Jürgen BajorathIncludes supplementary material:

落叶剂

CLAIM

Evaluation of Molecular Similarity and Molecular Diversity Methods Using Biological Activity Data,in particular on similarity searching and on compound selection procedures. The evaluation criteria considered are based on biological activity data, both qualitative and quantitative, with rather different criteria needing to be used depending on the type of data available.

继而发生

Chemoinformatics978-1-59259-802-1Series ISSN 1064-3745 Series E-ISSN 1940-6029

staging

https://doi.org/10.1007/978-3-319-89342-6in particular on similarity searching and on compound selection procedures. The evaluation criteria considered are based on biological activity data, both qualitative and quantitative, with rather different criteria needing to be used depending on the type of data available.

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平静生活

Sunando Bandyopadhyay,Nabendu Sekhar Kar application of chemoinformatics is often the quality of high-throughput-screening data. Discussion of the NCI dataset and how it differs from most high-throughputscreening datasets will be made to highlight this point.