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Find link is a tool written by Edward Betts.Longer titles found: Journal of Cheminformatics (view), List of cheminformatics toolkits (view)
searching for Cheminformatics 64 found (237 total)
alternate case: cheminformatics
International Chemical Identifier
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the worldwide chemical structure identifier standard". Journal of Cheminformatics. 5 (1): 7. doi:10.1186/1758-2946-5-7. PMC 3599061. PMID 23343401. "TheCompTox Chemicals Dashboard (991 words) [view diff] exact match in snippet view article find links to article
a community data resource for environmental chemistry". Journal of Cheminformatics. 9 (1): 61. doi:10.1186/s13321-017-0247-6. PMC 5705535. PMID 29185060List of toolkits (141 words) [view diff] exact match in snippet view article find links to article
Window Toolkit Accessibility Toolkit Adventure Game Toolkit B-Toolkit Cheminformatics toolkits Dojo Toolkit Fox toolkit GTK, the GIMP Toolkit Google WebPubChem (960 words) [view diff] exact match in snippet view article find links to article
access to chemical annotations integrated in PubChem". Journal of Cheminformatics. 11 (1): 56. doi:10.1186/s13321-019-0375-2. PMC 6688265. PMID 31399858Yvonne Connolly Martin (1,092 words) [view diff] exact match in snippet view article find links to article
Yvonne Connolly Martin (born September 13, 1936) is an American cheminformatics and computer-aided drug design expert who rose to the rank of Senior VolwilerTautomer (1,483 words) [view diff] exact match in snippet view article find links to article
the worldwide chemical structure identifier standard". Journal of Cheminformatics. 5 (1): 7. doi:10.1186/1758-2946-5-7. PMC 3599061. PMID 23343401. WarrClean Energy Project (604 words) [view diff] exact match in snippet view article find links to article
of High-performance Materials for Organic Photovoltaics by Means of Cheminformatics. Energy & Environmental Science 4 (2011), 4849–4861. J. Hachmann; RList of free and open-source software packages (4,247 words) [view diff] no match in snippet view article find links to article
This is a list of free and open-source software packages, computer software licensed under free software licenses and open-source licenses. Software thatChemSpider (1,196 words) [view diff] exact match in snippet view article find links to article
multi-source chemical dictionary: The impact on text mining". Journal of Cheminformatics. 2 (1): 3. doi:10.1186/1758-2946-2-3. PMC 2848622. PMID 20331846. "ChemSpiderPyr-T (209 words) [view diff] exact match in snippet view article find links to article
ISBN 0-9630096-9-9. Retrieved 7 April 2018. Krasowski MD, Ekins S. Using cheminformatics to predict cross reactivity of “designer drugs” to their currentlyCrystallography Open Database (277 words) [view diff] exact match in snippet view article find links to article
crystal structures into 3D printable files using Jmol". Journal of Cheminformatics. 8 (1): 66. doi:10.1186/s13321-016-0181-z. PMC 5122160. PMID 27933103ChEMBL (853 words) [view diff] exact match in snippet view article find links to article
2013 to allow users to access a complete and free, easy-to-install cheminformatics infrastructure. In December 2013, the operations of the SureChem patentJoint Committee on Atomic and Molecular Physical Data (64 words) [view diff] exact match in snippet view article find links to article
Extensible Markup Language (XML) Data dictionaries and chemical identifier" (PDF). IUPAC CPEP The Subcommittee on Cheminformatics Data Standards (SCDS)Michael Berthold (853 words) [view diff] exact match in snippet view article find links to article
Discovery (DMKD), Knowledge and Information Systems (KIS), Journal of Cheminformatics (JCIS), and International Journal of Computational Intelligence inPan-assay interference compounds (397 words) [view diff] exact match in snippet view article find links to article
"Badapple: promiscuity patterns from noisy evidence". Journal of Cheminformatics. 8: 29. doi:10.1186/s13321-016-0137-3. PMC 4884375. PMID 27239230.Molecule editor (314 words) [view diff] exact match in snippet view article find links to article
Dassault Systemes. Retrieved 2023-04-25. Molecular structure input on the web The Chemical Structure Editor: Bridging Chemistry and CheminformaticsIonotropic GABA receptor (687 words) [view diff] exact match in snippet view article find links to article
receptors: modelling and design of selective ligands". Journal of Cheminformatics. 2 (S1): P49. doi:10.1186/1758-2946-2-s1-p49. PMC 2867184. CarltonComputational engineering (1,083 words) [view diff] exact match in snippet view article find links to article
of chemical compounds/molecules and solids, computational chemistry/cheminformatics, molecular mechanics simulations, computational chemical methods inEmma Schymanski (2,086 words) [view diff] exact match in snippet view article find links to article
University of Luxembourg where she is the head of the Environmental Cheminformatics Group. In 2021, Schymanski was interviewed by the Metabolomics SocietySupercell (crystal) (496 words) [view diff] exact match in snippet view article
atomic substitutions and partial occupancies in crystals". Journal of Cheminformatics. 8 (1): 17. doi:10.1186/s13321-016-0129-3. ISSN 1758-2946. PMC 4818540KNIME (1,045 words) [view diff] exact match in snippet view article find links to article
; Berthold, M.; Steinbeck, C. (2013). "KNIME-CDK: Workflow-driven Cheminformatics". BMC Bioinformatics. 14: 257. doi:10.1186/1471-2105-14-257. PMC 3765822Lady Doak College (551 words) [view diff] exact match in snippet view article find links to article
Science (B.Sc.(specialization)): Mathematics, Physics, Chemistry with Cheminformatics, Botany (specialization in Industrial Microbiology) and Zoology (specializationJohn Wilbanks (1,084 words) [view diff] exact match in snippet view article find links to article
PMID 19815759. Wilbanks, J. (2011). "Openness as infrastructure". Journal of Cheminformatics. 3 (1): 36. doi:10.1186/1758-2946-3-36. PMC 3197551. PMID 21999327Anthony Nicholls (physicist) (293 words) [view diff] exact match in snippet view article
work at OpenEye. OpenEye has employed a number of notable people in cheminformatics, including Roger Sayle, developer of RasMol. Greetings from Info MesaSublimation (phase transition) (2,354 words) [view diff] exact match in snippet view article
Ferrari, Luna; Van Mourik, Tanja; Mitchell, John B. O. (2014). "Uniting Cheminformatics and Chemical Theory To Predict the Intrinsic Aqueous Solubility ofAnthony Nicholls (physicist) (293 words) [view diff] exact match in snippet view article
work at OpenEye. OpenEye has employed a number of notable people in cheminformatics, including Roger Sayle, developer of RasMol. Greetings from Info MesaSublimation (phase transition) (2,354 words) [view diff] exact match in snippet view article
Ferrari, Luna; Van Mourik, Tanja; Mitchell, John B. O. (2014). "Uniting Cheminformatics and Chemical Theory To Predict the Intrinsic Aqueous Solubility ofMelting point (3,045 words) [view diff] exact match in snippet view article find links to article
several hundred thousand compounds mined from PATENTS". Journal of Cheminformatics. 8: 2. doi:10.1186/s13321-016-0113-y. PMC 4724158. PMID 26807157. Model[permanentWomen in chemistry (2,275 words) [view diff] exact match in snippet view article find links to article
Connolly Martin (born 1936), American physical biochemist working on cheminformatics and computer-aided drug design in the US Marie Marynard Daly (1921–2001)Toxicophore (388 words) [view diff] exact match in snippet view article find links to article
generation using supervised learning approaches" (PDF). Journal of Cheminformatics. 4 (1): 10. doi:10.1186/1758-2946-4-10. PMC 3542175. PMID 22587596Origin (data analysis software) (1,294 words) [view diff] exact match in snippet view article
Origin 2 "Liborigin". 21 January 2024. Review article in Journal of Cheminformatics, Jan 2018 "Origin Viewer". Malvern Instruments Completes AcquisitionScientific workflow system (1,542 words) [view diff] exact match in snippet view article find links to article
system Pipeline Pilot, graphical programming with many tools to address Cheminformatics workflows Swift parallel scripting language, a scripting language withSamir K. Brahmachari (1,062 words) [view diff] exact match in snippet view article find links to article
from the Chief Mentor - Open Source Drug Discovery". "OSDD to tap cheminformatics for novel drugs - BioSpectrumIndia". Archived from the original onBIOVIA (1,015 words) [view diff] exact match in snippet view article find links to article
VLifeMDS Software ChemoSophia on-line computations NovaMechanics Ltd Cheminformatics Solutions Software for molecular mechanics modeling "Dassault SystèmesHierarchical editing language for macromolecules (656 words) [view diff] exact match in snippet view article find links to article
"The Pistoia Alliance and EMBL-EBI announce HELM collaboration for cheminformatics". ebi.ac.uk. 4 February 2014. Retrieved 17 Nov 2014. Rotstein, SergioJacqueline Hughes-Oliver (495 words) [view diff] exact match in snippet view article find links to article
faculty member in 1992. At NCSU, she directed the Exploratory Center for Cheminformatics Research, a large research group that she founded in 2005 with a largeGenostar (423 words) [view diff] exact match in snippet view article find links to article
2010-05-13. "Integrators « ChemAxon - toolkits and desktop applications for cheminformatics". Archived from the original on 2010-05-11. Retrieved 2010-05-16. GenostarRepresentative sequences (748 words) [view diff] exact match in snippet view article find links to article
Sequence Representation: Bridging the Gap between Bioinformatics and Cheminformatics". Journal of Chemical Information and Modeling. 51 (9): 2186–2208.Solubility (6,586 words) [view diff] exact match in snippet view article find links to article
De Ferrari, L.; van Mourik, T.; Mitchell, J. B. O. (2014). "Uniting Cheminformatics and Chemical Theory To Predict the Intrinsic Aqueous Solubility ofHigh-throughput screening (4,120 words) [view diff] exact match in snippet view article find links to article
relationships for each compound. With accompanying curve fitting and cheminformatics software qHTS data yields half maximal effective concentration (EC50)Multi-label classification (2,914 words) [view diff] exact match in snippet view article find links to article
high-throughput screening assays using Bayesian active learning". Journal of Cheminformatics. 8: 64. doi:10.1186/s13321-016-0177-8. ISSN 1758-2946. PMC 5105261International Union of Pure and Applied Chemistry (2,500 words) [view diff] exact match in snippet view article find links to article
values stated in the IUPAC strategic plan Committee on Publications and Cheminformatics Data Standards (CPCDS) Designing and implementing IUPAC publicationsRobert Stevens (scientist) (1,440 words) [view diff] exact match in snippet view article
"Structure-based classification and ontology in chemistry". Journal of Cheminformatics. 4: 8. doi:10.1186/1758-2946-4-8. PMC 3361486. PMID 22480202. "GrantsPointwise mutual information (1,657 words) [view diff] exact match in snippet view article find links to article
chemical compounds using pointwise mutual information". Journal of Cheminformatics. 13 (1): 3. doi:10.1186/s13321-020-00483-y. ISSN 1758-2946. PMC 7798221Biobase (company) (1,317 words) [view diff] exact match in snippet view article
by BIOBASE (Alexander Kel): Net2Drug: Integrated Labwork, Bio- and Cheminformatics technology for fighting breast cancer (9 partners; funded under EU6)List of electronic laboratory notebook software packages (1,148 words) [view diff] exact match in snippet view article find links to article
2017). "Electronic lab notebooks: can they replace paper?". Journal of Cheminformatics. 9 (1): 31. doi:10.1186/s13321-017-0221-3. PMC 5443717. PMID 29086051Inte:Ligand (1,746 words) [view diff] exact match in snippet view article find links to article
ligands of the nuclear receptors using 3D-pharmacophores". Journal of Cheminformatics. 8 (1): 43. doi:10.1186/s13321-016-0154-2. ISSN 1758-2946. PMC 5011875Vinod Scaria (3,160 words) [view diff] exact match in snippet view article find links to article
on 11 April 2013. Retrieved 10 February 2013. "Crowd Computing for Cheminformatics". RNA Biology. Archived from the original on 12 January 2013. RetrievedSIRIUS (software) (5,845 words) [view diff] exact match in snippet view article
"Computational mass spectrometry for small molecules". Journal of Cheminformatics. 5 (1): 12. doi:10.1186/1758-2946-5-12. PMC 3648359. PMID 234532222′-Acetoxycocaine (314 words) [view diff] exact match in snippet view article find links to article
(3): 925–1024. doi:10.1021/cr9700538. PMID 11749256. "Molinspiration Cheminformatics: Calculation of Molecular Properties and Bioactivity Score". ArchivedNatural product (9,571 words) [view diff] exact match in snippet view article find links to article
natural products databases: where to find data in 2020". Journal of Cheminformatics. 12 (1): 20. doi:10.1186/s13321-020-00424-9. PMC 7118820. PMID 33431011Indiana University Bloomington (12,936 words) [view diff] exact match in snippet view article find links to article
security. The Informatics PhD program offers tracks in bioinformatics, cheminformatics, complex systems, human–computer interaction design, logic and mathematicalHanoch Senderowitz (1,507 words) [view diff] exact match in snippet view article find links to article
material-informatics: application to photovoltaic solar cells". Journal of Cheminformatics. 9 (1): 34. doi:10.1186/s13321-017-0224-0. ISSN 1758-2946. PMC 5461245BioMed Central (1,234 words) [view diff] exact match in snippet view article find links to article
Interest. Or why I am stepping down as Editor-in-Chief of the Journal of Cheminformatics". doi:10.5281/ZENODO.4926031. {{cite journal}}: Cite journal requiresAndrea Volkamer (681 words) [view diff] exact match in snippet view article find links to article
and FAIR Python pipelines to assist in structural bioinformatics and cheminformatics research". Nucleic Acids Research. 50 (W1): W753–W760. doi:10.1093/nar/gkac267German Network for Bioinformatics Infrastructure (2,500 words) [view diff] exact match in snippet view article find links to article
T; Hilbig, M; Schomburg, KT; Volkamer, A; Rarey, M (2017). "From cheminformatics to structure-based design: Web services and desktop applications basedFabio Rinaldi (954 words) [view diff] exact match in snippet view article find links to article
(2019). "OGER++: Hybrid multi-type entity recognition". Journal of Cheminformatics. 11 (1): 7. doi:10.1186/s13321-018-0326-3. PMC 6689863. PMID 30666476Peptide library (1,023 words) [view diff] exact match in snippet view article find links to article
sequence diversity-oriented random peptide library design". Journal of Cheminformatics. 11 (1): 25. doi:10.1186/s13321-019-0347-6. PMC 6437963. PMID 30923940Tellurophenes (5,041 words) [view diff] exact match in snippet view article find links to article
chemical editor, visualization, and analysis platform". Journal of Cheminformatics. 4 (1): 17. doi:10.1186/1758-2946-4-17. ISSN 1758-2946. PMC 3542060Jordi Mestres i López (1,086 words) [view diff] exact match in snippet view article find links to article
Park (PRBB). He is chair of the organizing committee of the QSAR, Cheminformatics and Modeling Society's 24th European Symposium on Quantitative Structure-ActivityList of Brooklyn College alumni (12,442 words) [view diff] exact match in snippet view article find links to article
Wiener (B.S. 1945) chemist, physician and psychologist, and pioneer in cheminformatics and chemical graph theory Martin Goetz (B.A. 1953), pioneer in thePhosphetane (5,154 words) [view diff] exact match in snippet view article find links to article
chemical editor, visualization, and analysis platform". Journal of Cheminformatics. 4 (1): 17. doi:10.1186/1758-2946-4-17. ISSN 1758-2946. PMC 3542060List of protein subcellular localization prediction tools (5,139 words) [view diff] exact match in snippet view article find links to article
r=MicroT_CDS/index 2013 DrugBank DrugBank is a unique bioinformatics/cheminformatics resource that combines detailed drug (i.e. chemical) data with comprehensiveFaculty of Science, Kasetsart University (3,824 words) [view diff] exact match in snippet view article find links to article
Applied Chemistry, LCAC Analytical Method Development in Trace Analysis Cheminformatics Research Unit Natural Products and Organic Synthesis, NPOS Innovative