Works about CHEMINFORMATICS
Results: 749
Bridging Chemical Knowledge and Machine Learning for Performance Prediction of Organic Synthesis.
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- Chemistry - A European Journal, 2023, v. 29, n. 6, p. 1, doi. 10.1002/chem.202202834
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- Article
Enzymatic Writing to Soft Films: Potential to Filter, Store, and Analyze Biologically Relevant Chemical Information.
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- Advanced Functional Materials, 2014, v. 24, n. 4, p. 480, doi. 10.1002/adfm.201301434
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- Article
Structure-reactivity relationship in Diels-Alder reactions obtained using the condensed reaction graph approach.
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- Journal of Structural Chemistry, 2017, v. 58, n. 4, p. 650, doi. 10.1134/S0022476617040023
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- Article
Structure-reactivity relationship in bimolecular elimination reactions based on the condensed graph of a reaction.
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- Journal of Structural Chemistry, 2015, v. 56, n. 7, p. 1227, doi. 10.1134/S002247661507001X
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- Article
Bridging glycoinformatics and cheminformatics: integration efforts between GlyCosmos and PubChem.
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- Glycobiology, 2023, v. 33, n. 6, p. 454, doi. 10.1093/glycob/cwad028
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- Article
Components of Mid-Nineteenth- and Mid-Twentieth-Century Cudbears.
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- Heritage (2571-9408), 2024, v. 7, n. 3, p. 1357, doi. 10.3390/heritage7030065
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- Article
Protection of Historical Mortars through Treatment with Suspensions of Nanoparticles.
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- Heritage (2571-9408), 2023, v. 6, n. 2, p. 1148, doi. 10.3390/heritage6020064
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- Article
Managing, profiling and analyzing a library of 2.6 million compounds gathered from 32 chemical providers.
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- Plant Foods for Human Nutrition, 2006, v. 61, n. 3, p. 389, doi. 10.1007/s11030-006-9033-5
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- Article
Cheminformatics analysis and learning in a data pipelining environment.
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- Plant Foods for Human Nutrition, 2006, v. 61, n. 3, p. 283, doi. 10.1007/s11030-006-9041-5
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- Article
On Degree-Based Topological Indices of Kagome Graphene, and Carbon Kagome Nanotubes and Nanotori.
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- Polycyclic Aromatic Compounds, 2024, v. 44, n. 9, p. 6099, doi. 10.1080/10406638.2023.2273883
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- Article
Combining Targeted Therapies: Practical Issues to Consider at the Bench and Bedside.
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- Oncologist, 2010, v. 15, n. 1, p. 37, doi. 10.1634/theoncologist.2009-0117
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- Article
Computer-Aided Methods for Molecular Classification.
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- Mathematics (2227-7390), 2022, v. 10, n. 9, p. 1543, doi. 10.3390/math10091543
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- Article
A Study of Families of Bistar and Corona Product of Graph: Reverse Topological Indices.
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- Malaysian Journal of Mathematical Sciences, 2023, v. 17, n. 4, p. 575, doi. 10.47836/mjms.17.4.04
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- Article
Sesquiterpene lactone mix as a diagnostic tool for Asteraceae allergic contact dermatitis: chemical explanation for its poor performance and Sesquiterpene lactone mix II as a proposed improvement.
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- Contact Dermatitis (01051873), 2012, v. 66, n. 5, p. 233, doi. 10.1111/j.1600-0536.2011.02051.x
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- Article
Automatic scent creation by cheminformatics method.
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- Scientific Reports, 2024, v. 14, n. 1, p. 1, doi. 10.1038/s41598-024-82654-7
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- Article
Cheminformatics approach to identify andrographolide derivatives as dual inhibitors of methyltransferases (nsp14 and nsp16) of SARS-CoV-2.
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- Scientific Reports, 2024, v. 14, n. 1, p. 1, doi. 10.1038/s41598-024-58532-7
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- Article
Chemoinformatics Studies on a Series of Imidazoles as Cruzain Inhibitors.
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- Biomolecules (2218-273X), 2021, v. 11, n. 4, p. 579, doi. 10.3390/biom11040579
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- Article
Structure-Based Virtual Screening of Tumor Necrosis Factor-α Inhibitors by Cheminformatics Approaches and Bio-Molecular Simulation.
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- Biomolecules (2218-273X), 2021, v. 11, n. 2, p. 329, doi. 10.3390/biom11020329
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- Article
Cheminformatics to Characterize Pharmacologically Active Natural Products.
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- Biomolecules (2218-273X), 2020, v. 10, n. 11, p. 1566, doi. 10.3390/biom10111566
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- Article
Bacopa monnieri and Their Bioactive Compounds Inferred Multi-Target Treatment Strategy for Neurological Diseases: A Cheminformatics and System Pharmacology Approach.
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- Biomolecules (2218-273X), 2020, v. 10, n. 4, p. 536, doi. 10.3390/biom10040536
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- Article
BIOFACQUIM: A Mexican Compound Database of Natural Products.
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- Biomolecules (2218-273X), 2019, v. 9, n. 1, p. 31, doi. 10.3390/biom9010031
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- Article
Cheminformatics and systems pharmacology approaches to unveil the potential plant bioactives to combat COVID‐19.
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- Journal of Molecular Recognition, 2023, v. 36, n. 10, p. 1, doi. 10.1002/jmr.3055
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- Article
Linking the Resource Description Framework to cheminformatics and proteochemometrics.
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- Journal of Biomedical Semantics, 2011, v. 2, n. Suppl 1, p. 1, doi. 10.1186/2041-1480-2-S1-S6
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- Article
Graphical Classification in Multi-Centrality-Index Diagrams for Complex Chemical Networks.
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- Symmetry (20738994), 2017, v. 9, n. 12, p. 309, doi. 10.3390/sym9120309
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- Article
Drug Design for CNS Diseases: Polypharmacological Profiling of Compounds Using Cheminformatic, 3D-QSAR and Virtual Screening Methodologies.
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- Frontiers in Neuroscience, 2016, p. 1, doi. 10.3389/fnins.2016.00265
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- Article
KCF-S: KEGG Chemical Function and Substructure for improved interpretability and prediction in chemical bioinformatics.
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- BMC Systems Biology, 2013, v. 7, p. 1, doi. 10.1186/1752-0509-7-S6-S2
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- Article
Annotation of metabolites from gas chromatography/atmospheric pressure chemical ionization tandem mass spectrometry data using an in silico generated compound database and MetFrag.
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- Rapid Communications in Mass Spectrometry: RCM, 2015, v. 29, n. 16, p. 1521, doi. 10.1002/rcm.7244
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- Article
CAZADORES DE LA MOLÉCULA PERDIDA: LA APREMIANTE NECESIDAD DE DESCUBRIR NUEVOS FÁRMACOS ANTIVIRALES CONTRA SARS-CoV-2.
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- Revista de Ingeniería, 2020, n. 50, p. 34, doi. 10.16924/revinge.50.4
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- Article
SIMS for membranes.
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- Nature Methods, 2006, v. 3, n. 12, p. 962, doi. 10.1038/nmeth1206-962a
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- Article
Olfactory perception of chemically diverse molecules.
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- 2016
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- Publication type:
- journal article
Distribution Analyzer, a methodology for identifying and clustering outlier conditions from single-cell distributions, and its application to a Nanog reporter RNAi screen.
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- BMC Bioinformatics, 2015, v. 16, n. 1, p. 1, doi. 10.1186/s12859-015-0636-7
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- Article
SING: Subgraph search In Non-homogeneousGraphs.
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- BMC Bioinformatics, 2010, v. 11, p. 96, doi. 10.1186/1471-2105-11-96
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- Article
CDK-Taverna: an open workflow environment forcheminformatics.
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- BMC Bioinformatics, 2010, v. 11, p. 159, doi. 10.1186/1471-2105-11-159
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- Article
Preliminary nanopore cheminformatics analysis of aptamer-target binding strength.
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- BMC Bioinformatics, 2007, v. 8, p. S11, doi. 10.1186/1471-2105-8-S7-S11
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- Publication type:
- Article
Nanopore current transduction analysis of protein binding to non-terminal and terminal DNA regions: analysis of transcription factor binding, retroviral DNA terminus dynamics, and retroviral integrase-DNA binding.
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- BMC Bioinformatics, 2007, v. 8, p. S10, doi. 10.1186/1471-2105-8-S7-S10
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- Article
Bioclipse: an open source workbench for chemo- and bioinformatics.
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- BMC Bioinformatics, 2007, v. 8, p. 59, doi. 10.1186/1471-2105-8-59
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- Article
Cheminformatics methods for novel nanopore analysis of HIV DNA termini.
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- BMC Bioinformatics, 2006, v. 7, p. S22, doi. 10.1186/1471-2105-7-S2-S22
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- Article
Proceedings of the Third Annual Conference of the MidSouth Computational Biology and Bioinformatics Society.
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- 2006
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- Publication type:
- Conference Paper/Materials
Communication and re-use of chemical information in bioscience.
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- BMC Bioinformatics, 2005, v. 6, p. 180, doi. 10.1186/1471-2105-6-180
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- Article
Chemistry in Bioinformatics.
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- BMC Bioinformatics, 2005, v. 6, p. 141, doi. 10.1186/1471-2105-6-141
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- Article
Technical Note: Development of chemoinformatic tools to enumerate functional groups in molecules for organic aerosol characterization.
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- Atmospheric Chemistry & Physics Discussions, 2015, v. 15, n. 22, p. 33631, doi. 10.5194/acpd-15-33631-2015
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- Article
A Similarity Search Using Molecular Topological Graphs.
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- Journal of Biomedicine & Biotechnology, 2009, p. 1, doi. 10.1155/2009/231780
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- Article
RESOLUTE in the NEW YEAR.
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- Bio-IT World, 2006, v. 5, n. 10, p. 26
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- Article
Mastering the Art of QSAR.
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- Bio-IT World, 2006, v. 5, n. 6, p. 34
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- Article
InforSense Approach to Data Sharing.
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- Bio-IT World, 2005, v. 4, n. 3, p. 44
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- Article
Riding the New Wave.
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- Bio-IT World, 2004, v. 3, n. 10, p. 42
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- Article
New Products.
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- 2004
- Publication type:
- Product Review
N‐([1,1ʹ‐biaryl]‐4‐yl)‐1‐naphthamide‐based scaffolds synthesis, their cheminformatics analyses, and screening as bacterial biofilm inhibitor.
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- Journal of Basic Microbiology, 2022, v. 62, n. 9, p. 1143, doi. 10.1002/jobm.202100288
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- Article
Corrigendum to: Supporting the fight against the proliferation of chemical weapons through cheminformatics.
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- Pure & Applied Chemistry, 2022, v. 94, n. 10, p. 1207, doi. 10.1515/pac-2022-2021
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- Article
Supporting the fight against the proliferation of chemical weapons through cheminformatics.
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- Pure & Applied Chemistry, 2022, v. 94, n. 7, p. 783, doi. 10.1515/pac-2021-1107
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- Article