CdO Nanoparticles: A Highly Effective Catalyst in Cyclocondensation Reaction of 3,4-Methylenedioxyphenol, Aromatic Aldehydes, and Active Methylene Compounds under Ultrasonic Irradiation
Shahrzad Abdolmohammadi
Journal of Nanostructures, 2021
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Computational Applications in Secondary Metabolite Discovery (CAiSMD): an online workshop
Smith Babiaka
Journal of Cheminformatics, 2021
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Annotation and detection of drug effects in text for pharmacovigilance
Junichi Tsujii
Journal of cheminformatics, 2018
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MET: a Java package for fast molecule equivalence testing
Matthias Müller-hannemann
Journal of Cheminformatics
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Next generation community assessment of biomedical entity recognition web servers: metrics, performance, interoperability aspects of BeCalm
Martin Krallinger
Journal of Cheminformatics
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The comparison of automated clustering algorithms for resampling representative conformer ensembles with RMSD matrix
Dharmendra Kumar Yadav
Journal of Cheminformatics
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Multi-task learning with a natural metric for quantitative structure activity relationship learning
Larisa Soldatova
Journal of Cheminformatics
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ChemEngine: harvesting 3D chemical structures of supplementary data from PDF files
Renu Vyas
Journal of cheminformatics, 2016
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The CompTox Chemistry Dashboard: a community data resource for environmental chemistry
Kamel Mansouri
Journal of cheminformatics, 2017
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“MS-Ready” structures for non-targeted high-resolution mass spectrometry screening studies
Antony J Williams
Journal of Cheminformatics
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Ambiguity of non-systematic chemical identifiers within and between small-molecule databases
Antony J Williams
Journal of cheminformatics, 2015
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Charged aerosol detector response modeling for fatty acids based on experimental settings and molecular features: a machine learning approach
Ana Protić
Journal of Cheminformatics
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The rcdk and cluster R packages applied to drug candidate selection
Adrian Voicu
Journal of Cheminformatics, 2020
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Terminology spectrum analysis of natural-language chemical documents: term-like phrases retrieval routine
Борис Альперин
2016
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Electronic lab notebooks: can they replace paper?
Jana Erjavec
Journal of Cheminformatics
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QSPR modeling of selectivity at infinite dilution of ionic liquids
Kyrylo Klimenko
Journal of Cheminformatics, 2021
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Ambit-SMIRKS: a software module for reaction representation, reaction search and structure transformation
Svetlana Avramova
Journal of Cheminformatics, 2018
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Too sweet: cheminformatics for deglycosylation in natural products
Maria Sorokina
Journal of Cheminformatics, 2020
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DockRMSD: an open-source tool for atom mapping and RMSD calculation of symmetric molecules through graph isomorphism
Mohammed Oday
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QuBiLS‑MAS, open source multi‑platform software for atom‑ and bond‑based topological (2D) and chiral (2.5D) algebraic molecular descriptors computations
Hai Pham-The
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CHEMDNER: The drugs and chemical names extraction challenge
Martin Krallinger
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Transformer-CNN: Swiss knife for QSAR modeling and interpretation
Guillaume Godin
Journal of Cheminformatics, 2020
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SIME: synthetic insight-based macrolide enumerator to generate the V1B library of 1 billion macrolides
Phyo Phyo Kyaw Zin
Journal of Cheminformatics
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Hydrotrope induced structural modifications in CTAB/butanol/water/isooctane reverse micellar systems
Vaishali Sethi
Physical chemistry chemical physics : PCCP, 2017
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Cheminformatics-based enumeration and analysis of large libraries of macrolide scaffolds
phyo zin
Journal of Cheminformatics, 2018
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MINEs: open access databases of computationally predicted enzyme promiscuity products for untargeted metabolomics
James Jeffryes, Christopher Henry
Journal of Cheminformatics, 2015
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