InChI Full List of Publications & Presentations

InChI Full List of Publications & Presentations

 
International chemical identifier for reactions (RInChI).: Grethe, Guenter; Blanke, Gerd; Kraut, Hans; Goodman, Jonathan M.
{J Cheminform 10 22 (2018).}
10.1186/s13321-018-0277-8
PubChem chemical structure standardization.: Hähnke, Volker D.; Kim, Sunghwan; Bolton, Evan E.
{J Cheminform 10 36 (2018).}
https://www.inchi-trust.org/wp
Physicochemical Property Labels as Molecular Descriptors for Improved Analysis of Compound-Protein and Compound-Compound Networks.: Kotera, Masaaki
{Methods Mol Biol 1825 211-225 (2018).}
https://www.inchi-trust.org/wp
Deposits in the lungs of Kwädąy Dän Ts’ìnchį man: Characterization by a combination of analytical microscopical methods.: Monsalve, M. Victoria; Humphrey, Elaine; Yueyang, Shen; Schulze, H. Georg; Atkins, Chad G.; Blades, Michael W.; Konorov, Stanislav O.; Turner, Robin F. B.; Walker, David C.
{Am J Phys Anthropol 167 337-347 (2018).}
https://www.inchi-trust.org/wp
An Overview of Chemical Profiles, Antioxidant and Antimicrobial Activities of Commercial Vegetable Edible Oils Marketed in Japan.: Xuan, Tran Dang; Gangqiang, Gu; Minh, Truong Ngoc; Quy, Tran Ngoc; Khanh, Tran Dang
{Foods 7 (2018).}
https://www.inchi-trust.org/wp
Unique Identifiers for Small Molecules Enable Rigorous Labeling of Their Atoms: Dashti, Hesam; Westler, William M.; Markley, John L.; Eghbalnia, Hamid R.
{Sci Data 4 (1) 170073 (2017).}
https://doi.org/10.1038/sdata.2017.73
The Status of the IUPAC InChI Chemical Structure Standard: Boucher, R.; Heller, S.; McNaught, A.
{Chem Int 39 (3) 47–47 (2017).}
https://doi.org/10.1515/ci-2017-0316
PubChemQC Project: A Large-Scale First-Principles Electronic Structure Database for Data-Driven Chemistry.: Nakata, Maho; Shimazaki, Tomomi
{J Chem Inf Model 57 1300-1308 (2017).}
https://www.inchi-trust.org/wp
Computational Prediction of Electron Ionization Mass Spectra to Assist in GC/MS Compound Identification.: Allen, Felicity; Pon, Allison; Greiner, Russ; Wishart, David
{Anal Chem 88 7689-7697 (2016).}
10.1021/acs.analchem.6b01622
InChI As a Research Data Management Tool: Rzepa, Henry; Mclean, Andrew; Harvey, Matthew J.
{Chem Int 38 (3–4) 24–26 (2016).}
https://doi.org/10.1515/ci-2016-3-408
ProCarDB: a database of bacterial carotenoids.: Nupur, L. N. U.; Vats, Asheema; Dhanda, Sandeep Kumar; Raghava, Gajendra P. S.; Pinnaka, Anil Kumar; Kumar, Ashwani
{BMC Microbiol 16 96 (2016).}
https://www.inchi-trust.org/wp
Expanding DP4: application to drug compounds and automation.: Ermanis, Kristaps; Parkes, Kevin E. B.; Agback, Tatiana; Goodman, Jonathan M.
{Org Biomol Chem 14 3943-3949 (2016).}
https://www.inchi-trust.org/wp
BIOPEP database of sensory peptides and amino acids.: Iwaniak, Anna; Minkiewicz, Piotr; Darewicz, Małgorzata; Sieniawski, Krzysztof; Starowicz, Piotr
{Food Res Int 85 155-161 (2016).}
https://www.inchi-trust.org/wp
InChI, the IUPAC International Chemical Identifier.: Heller, Stephen R.; McNaught, Alan; Pletnev, Igor; Stein, Stephen; Tchekhovskoi, Dmitrii
{J Cheminform 7 23 (2015).}
https://www.doi.org/10.1186/s13321-015-0068-4
Chemical Databases: Curation or Integration by User-Defined Equivalence?: Hersey, Anne; Chambers, Jon; Bellis, Louisa; Bento, A. Patricia; Gaulton, Anna; Overngton, John P.
{Drug Discov Today Technologies 14, 17–24 (2015).}
https://doi.org/10.1016/j.ddtec.2015.01.005
Many InChIs and Quite Some Feat: Warr, Wendy A.
{J Comput Aid Mol Des 29 (8), 681–694 (2015).}
https://doi.org/10.1007/s10822-015-9854-3
Get Your Atoms in Order–An Open-Source Implementation of a Novel and Robust Molecular Canonicalization Algorithm.: Schneider, Nadine; Sayle, Roger A.; Landrum, Gregory A.
{J Chem Inf Model 55 2111-2120 (2015).}
https://www.inchi-trust.org/wp
Current Challenges in Development of a Database of Three-Dimensional Chemical Structures.: Maeda, Miki H.
{Front Bioeng Biotechnol 3 66 (2015).}
https://www.inchi-trust.org/wp
The Royal Society of Chemistry and the delivery of chemistry data repositories for the community.: Williams, Antony; Tkachenko, Valery
{J Comput Aided Mol Des 28 1023-1030 (2014).}
10.1007/s10822-014-9784-5
UniChem: Extension of InChI-Based Compound Mapping to Salt, Connectivity and Stereochemistry Layers: Chambers, Jon; Davies, Mark; Gaulton, Anna; Papadatos, George; Hersey, Anne; Overngton, John P.
{ J Cheminformatics 6 (1) 43 (2014).}