Results 31 to 40 of about 1,161,970 (328)

Similarity-based data mining in files of two-dimensional chemical structures using fingerprint measures of molecular resemblance [PDF]

, 2011
This paper reviews the use of measures of intermolecular similarity for processing databases of chemical structures, which play an important role in the discovery of new drugs by the pharmaceutical industry.
Willett, P.
core   +1 more source

An overview of the cycloaddition chemistry of fulvenes and emerging applications

Beilstein Journal of Organic Chemistry, 2019
The unusual electronic properties and unique reactivity of fulvenes have interested researchers for over a century. The propensity to form dipolar structures at relatively low temperatures and to participate as various components in cycloaddition ...
Ellen Swan, Kirsten Platts, Anton Blencowe   +2 more
doaj   +1 more source

Stability Evaluation and Degradation Studies of DAC^® Hyaluronic-Polylactide Based Hydrogel by DOSY NMR Spectroscopy

Biomolecules, 2020
The stability and the degradation of polymers in physiological conditions are very important issues in biomedical applications. The copolymer of hyaluronic acid and poly-D,L-lactic acid (made available in a product called DAC®) produces a hydrogel which ...
Tatiana Guzzo, Fabio Barile, Cecilia Marras, Davide Bellini, Walter Mandaliti, Ridvan Nepravishta, Maurizio Paci, Alessandra Topai   +7 more
doaj   +1 more source

Chemoinformatics Research at the University of Sheffield: A History and Citation Analysis [PDF]

, 2003
This paper reviews the work of the Chemoinformatics Research Group in the Department of Information Studies at the University of Sheffield, focusing particularly on the work carried out in the period 1985-2002.
Bishop, N., Gillet, V.J., Holliday, J.D., Willett, P.   +3 more
core   +1 more source

Discovery of the cryptic function of terpene cyclases as aromatic prenyltransferases

Nature Communications, 2020
Terpene cyclases catalyze the formation of diverse hydrocarbon scaffolds found in terpenoids. Here, the authors report the cryptic function of class I terpene cyclases as aromatic prenyltransferases and the universality of this cryptic feature is ...
Haibing He, Guangkai Bian, Corey J. Herbst-Gervasoni, Takahiro Mori, Stephen A. Shinsky, Anwei Hou, Xin Mu, Minjian Huang, Shu Cheng, Zixin Deng, David W. Christianson, Ikuro Abe, Tiangang Liu   +12 more
doaj   +1 more source

Library Design in Combinatorial Chemistry by Monte Carlo Methods

, 2000
Strategies for searching the space of variables in combinatorial chemistry experiments are presented, and a random energy model of combinatorial chemistry experiments is introduced.
B. M. Cole, C. J. Geyer, D. E. Akporiaye, E. Danielson, E. Danielson, E. Marinari, E. Reddington, E. W. McFarland, F. M. Menger, G. Briceño, J. Wang, K. Burgess, L. D. Bogarad, M. B. Francis, M. C. Pirrung, M. Falcioni, Marco Falcioni, Michael W. Deem, P. Bratley, P. Cong, R. B. van Dover, S. I. Zones, T. A. Dickinson, T. Novet, W. H. Weinberg, X.-D. Xiang   +25 more
core   +1 more source

A user-friendly Matlab program and GUI for the pseudorotation analysis of saturated five-membered ring systems based on scalar coupling constants [PDF]

, 2008
Background: The advent of combinatorial chemistry has revived the interest in five-membered heterocyclic rings as scaffolds in pharmaceutical research. They are also the target of modifications in nucleic acid chemistry.
Hendrickx, Pieter, Martins, José
core   +4 more sources

Dynamic combinatorial chemistry: a tool to facilitate the identification of inhibitors for protein targets.

Chemical Society Reviews, 2015
Dynamic combinatorial chemistry (DCC) has emerged as a powerful strategy to identify ligands for biological targets given that it enables the target to direct the synthesis and amplification of its strongest binder(s) from the library of interconverting ...
M. Mondal, A. Hirsch
semanticscholar   +1 more source

Sobre o uso de métodos quimiométricos em química combinatória The use of chemometric methods on combinatorial chemistry

Química Nova, 2000
Combinatorial chemistry has emerged as a tool to circumvent a major problem of pharmaceutical industries to discover new lead compounds. A rapid and massive evaluation of a myriad of newly synthesised compounds can be carried out. Combinatorial synthesis
Andrei Leitão, Carlos A. Montanari, Claudio L. Donnici   +2 more
doaj   +1 more source

Transfer RNA modifications: nature's combinatorial chemistry playground. [PDF]

Wiley Interdiscip Rev RNA, 2013
Jackman JE, Alfonzo JD.
europepmc   +2 more sources