Results 171 to 180 of about 12,214 (208)

SLICE (SMARTS and Logic In ChEmistry): fast generation of molecules using advanced chemical synthesis logic and modern coding style. [PDF]

J Cheminform
Ilemo SN, Delannée V, Grushin O, Judson P, Patel H, Nicklaus MC, Tarasova NI.   +6 more
europepmc   +1 more source

Preliminary Identification of PFAS and Other Emerging Contaminants in the French Broad River, NC Post-Hurricane Helene. [PDF]

Toxics
Walker-Franklin I, Blake S, Thorp E, Tuberty S.   +3 more
europepmc   +1 more source

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Cheminformatics

Communications of the ACM, 2012
Open-source chemistry software and molecular databases broaden the research horizons of drug discovery.
Jörg K. Wegner, Aaron D. Sterling, Rajarshi Guha, Andreas Bender 0002, Jean-Loup Faulon, Janna Hastings, Noel M. O'Boyle, John P. Overington, Herman van Vlijmen, Egon L. Willighagen   +9 more
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Nanopore Cheminformatics

DNA and Cell Biology, 2004
A cheminformatics method is described for classification, and biophysical examination, of individual molecules. A novel molecular detector is used--one based on current blockade measurements through a nanometer-scale ion channel (alpha-hemolysin). Classification results are described for blockades caused by DNA molecules in the alpha-hemolysin nanopore
Stephen, Winters-Hilt, Mark, Akeson
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Introduction to Cheminformatics

Current Protocols in Bioinformatics, 2007
AbstractCheminformatics is a field of information technology that focuses on the collection, storage, analysis, and manipulation of chemical data. The chemical data of interest typically includes information on small molecule formulas, structures, properties, spectra, and activities (biological or industrial).
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Cheminformatics and molecular modeling

Cheminformatics, 2004
AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Paul Verwer, Frank J. J. Leusen
openaire   +1 more source

Applying CNN to Cheminformatics

2007 IEEE International Symposium on Circuits and Systems (ISCAS), 2007
We describe a method for the construction of specific types of neural networks composed of structures directly linked to the structure of the molecule under consideration. Each molecule can be represented by a unique neural connectivity problem (graph) which can be programmed onto a cellular neural network.
Christian Merkwirth, Maciej Ogorzalek
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The Interweaving of Cheminformatics and HTS

2010
The aim of this chapter is to describe the stages of early drug discovery that can be assisted by techniques commonly used in the field of cheminformatics. In fact, cheminformatics tools can be applied all the way from the design of compound libraries and the analysis of HTS results, to the discovery of functional relationships between compounds and ...
Anne, Kümmel, Christian N, Parker
openaire   +2 more sources