Results 171 to 180 of about 12,257 (212)

Computational approaches in chemical space exploration for carbon fixation pathways. [PDF]

NPJ Syst Biol Appl
Abel AS, Lauber N, Andersen JL, Fagerberg R, Merkle D, Flamm C.   +5 more
europepmc   +1 more source

NPBS Atlas: a comprehensive data resource for exploring the biological sources of natural products. [PDF]

J Cheminform
Xu T, Dai J, Li Y, Zhou J, Zhao Y, Chen W, Xue XS.   +6 more
europepmc   +1 more source

BioRGroup dataset: R-group expansion of ChEBI molecules referenced in the Rhea database. [PDF]

Sci Data
Gricourt G, Faulon JL.
europepmc   +1 more source

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

Of possible cheminformatics futures [PDF]

Journal of Computer-Aided Molecular Design, 2011
For over a decade, cheminformatics has contributed to a wide array of scientific tasks from analytical chemistry and biochemistry to pharmacology and drug discovery; and although its contributions to decision making are recognized, the challenge is how it would contribute to faster development of novel, better products.
Oprea, Tudor I.; Taboureau, Olivier; Bologa, Cristian G.   +3 more
openaire   +3 more sources

Cheminformatics Explorations of Natural Products [PDF]

, 2019
The chemistry of natural products is fascinating and has continuously attracted the attention of the scientific community for many reasons including, but not limited to, biosynthesis pathways, chemical diversity, the source of bioactive compounds and their marked impact on drug discovery.
Fernando D, Prieto-Martínez, Ulf, Norinder, José L, Medina-Franco   +2 more
openaire   +3 more sources

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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
openaire   +2 more sources