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Mini-fingerprints

Xue L, Stahura FL, Godden JW, Bajorath J. Mini-fingerprints detect similar activity of receptor ligands previously recognized only by three-dimensional pharmacophore-based methods. J Chem Inf Comp Sci 2001 41 394-401. [Pg.370]

XuE, L, Godden, J.W., and Bajorath, J. Mini-fingerprints for virtual screening design principles and generation of novel prototypes based on information theory. SAR QSAR Environ. Res. 2003, 14, 27-40. [Pg.109]

Mini-FingerPrints —> substructure descriptors ( structural keys)... [Pg.497]

The Structural keys included in the Mini-Fingerprints encode information about the pre-sence/absence of predefined molecular fragments selected specifically on the basis of their ability to classify compounds according to their biological activity, MFPl and MFP2 have only four structural keys in common,... [Pg.762]

MFP consensus profiles are obtained by comparing the bit settings for each active compound belonging to a specific activity class and identifying the bit positions that are set on in all the mini-fingerprints of the active compounds [Xue, Stahura et al, 2001a], The consensus profile is... [Pg.762]

Moreover, to enhance the probability of identifying compounds with similar activity by database searching, mini-fingerprints of all molecules are scaled by using a scaling factor applied only to consensus bits. The scaling factor is linearly weighted within a frequency interval (e.g., 0.8-1.0) as follows ... [Pg.763]

Evaluation of descriptors and mini-fingerprints for the identification of molecules with similar activity. /. Chem. Inf. Comput. Sci., 40, 1227-1234. [Pg.1203]

In a later study, three-point and four-point pharmacophore fingerprints have been shown to perform better than 2D Daylight fingerprints in some circumstances [48], More recently, the mini-fingerprints (MFPs), based on a small number of 2D descriptors, were specifically designed for similarity searching and were shown to have comparable performance to the 3D pharmacophores [49]. [Pg.624]

The technique of DNA fingerprinting was first established by Jeffreys et al (1985a, b), who discovered mini-satellite probes with the capability to produce... [Pg.31]

In 1985, Jeffreys [144] discovered that certain sections of human DNA were so characteristic that they alone could be used to identify a suspect, in a manner superior to that of traditional fingerprinting. From this, a highly successful forensic identification technique has been evolved and is now widely used by law enforcement agencies. It is based on the analysis of those parts of human DNA known as mini satellites (satellite DNA). These are characterised by relatively short sequences of about a dozen base pairs which are repeated many times throughout the whole DNA (Chapter 14.3). Minimal samples are required, and a single cell may provide enough DNA for an absolutely positive identification of an individual. ... [Pg.1005]

Su X, Kong L, Lei X, Hu L, Ye M, Zou H. Biological fingerprinting analysis of traditional Chinese medicines with targeting ADME/Tox property for screening of bioactive compounds by chromatographic and MS methods. Mini Rev Med Chem 2007 7 87-98. [Pg.539]


See other pages where Mini-fingerprints is mentioned: [Pg.350]    [Pg.255]    [Pg.762]    [Pg.763]    [Pg.763]    [Pg.350]    [Pg.255]    [Pg.762]    [Pg.763]    [Pg.763]    [Pg.160]    [Pg.30]    [Pg.298]    [Pg.249]    [Pg.132]    [Pg.225]   
See also in sourсe #XX -- [ Pg.350 ]

See also in sourсe #XX -- [ Pg.255 ]

See also in sourсe #XX -- [ Pg.255 ]




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