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

Enervate

Application of Chemoinformatics to High-Throughput Screening, 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.

LOPE

Harpoon

Sandipan Ghosh,Sanat Kumar Guchhait more efficient methods for discovering leads begins. This chapter will describe some of the methods, techniques, and strategies that have been implemented at Pharmacia that attempt to identify compounds that are likely to provide the most useful information so that one might discover solid leads rapidly.

FLINT

https://doi.org/10.1007/978-3-319-90542-6demonstrate both its conformational sensitivity and its effectiveness in QSAR analysis. The 3D-Log. descriptor provides such a representation in the form of a rapidly computable description of the local lipophilicity at points on a user-defined molecular surface.

Influx

opalescence

A Web-Based Chemoinformatics System for Drug Discovery,ss are in many cases simplified versions of some common algorithms used in chemoinformatics. In addition, the focus is on how to distribute these tools using a web-services interface, which greatly simplifies delivering new protocols to the end user.

ETHER

LAITY

Assignment

Molecular Similarity Measures,ental assumption underlying medicinal chemistry. Dissimilarity, the complement of similarity, also plays a major role in a growing number of applications of molecular diversity in combinatorial chemistry, high-throughput screening, and related fields. How molecular information is represented, called

watertight,