Results 211 to 220 of about 1,475,907 (268)

Predictions of Chromatography Methods by Chemical Structure Similarity to Accelerate High-Throughput Medicinal Chemistry. [PDF]

open access: yesACS Med Chem Lett
Wang J   +8 more
europepmc   +1 more source

Sharing Chemical Information without Sharing Chemical Structure

Journal of Chemical Information and Modeling, 2008
Studies to assess the risks of revealing chemical structures by sharing various chemical descriptor data are presented. Descriptors examined include "Lipinski-like" properties, 2D-BCUT descriptors, and a high-dimensional "fingerprint-like" descriptor (MACCs-vector).
Brian B Masek, Robert S Pearlman
exaly   +3 more sources

Bitterness and Chemical Structure

Nature, 1969
MANY bitter-tasting substances produced by plants are known, but no conclusive relationship between bitterness and chemical structure has been proposed. Shallenberger and Acree1 recently related a sweet taste to certain molecular features, and reported that sweet compounds possessed a proton–donor group (DH) and a proton–acceptor group (A), and that ...
T, Kubota, I, Kubo
openaire   +2 more sources

The chemical structure of capreomycin

Experientia, 1976
The chemical structure of capreomycin, antituberculous peptide antibiotic, was revised from the results of NMR-analysis in comparison with tuberactinomycins. Capreomycin IA and IB were concluded to possess the similar amino acid sequences in their cyclic peptide moieties to those of tuberactinomycins.
T, Shiba, S, Nomoto, T, Wakamiya
openaire   +2 more sources

On Characterization of Chemical Structure

Journal of Chemical Information and Computer Sciences, 1997
We briefly review characterization of chemical structure as evolving from the early work on the connectivity index to the latest work on a characterization of 3-D structures, including characterization of the folding of model proteins.
openaire   +1 more source

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