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Drug-like compound identification

Drug-like compound identification with a jury of fe-NN, SVM, and ridge regression was investigated by Merkwirth et al. " Jury predictions with several machine learning methods were compared by Briem and Gunther for the... [Pg.348]

During lead identification, multiple series are evaluated for the potential to yield drug-like compounds, that is, the appropriate combination of potency, physicochem-... [Pg.227]

The earliest report of a solution-phase combinatorial library of small drug-like molecules was by Smith et al. [2], The reaction of 40 individual acid chlorides with an equimolar mixture of 40 nucleophiles (alcohols or amines) and of the individual nucleophiles with an equimolar mixture of the acid chlorides produced a library of 1600 amides and esters as pools of 40 compounds. The orthogonal design strategy determined that each possible product should appear in a unique pair of samples to allow the rapid identification of lead compounds after screening. [Pg.51]

See other pages where Drug-like compound identification is mentioned: [Pg.375]    [Pg.375]    [Pg.299]    [Pg.89]    [Pg.473]    [Pg.4016]    [Pg.560]    [Pg.2]    [Pg.129]    [Pg.213]    [Pg.80]    [Pg.436]    [Pg.178]    [Pg.179]    [Pg.267]    [Pg.151]    [Pg.6]    [Pg.103]    [Pg.128]    [Pg.410]    [Pg.50]    [Pg.70]    [Pg.95]    [Pg.11]    [Pg.103]    [Pg.63]    [Pg.185]    [Pg.35]    [Pg.242]    [Pg.35]    [Pg.28]    [Pg.270]    [Pg.276]    [Pg.127]    [Pg.197]    [Pg.116]    [Pg.274]    [Pg.75]    [Pg.371]    [Pg.377]    [Pg.480]    [Pg.261]    [Pg.102]    [Pg.428]    [Pg.11]    [Pg.536]    [Pg.4013]    [Pg.4021]   
See also in sourсe #XX -- [ Pg.348 ]



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Compound identification

Drug identification

Drug-like

Drug-like compounds

Drug-likeness

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