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Total posts by Marvin: 225
presentation
·
9 months ago
Marvin - the next generation of chemical drawing
by
Efi Hoffmann
presentation
·
10 months ago
Portfolio Presentation
by
Dávid Malatinszky
,
Jan Christopherson
(
ChemAxon
)
news
·
1 year ago
Reaxys structure search now available from Marvin
(
Elsevier
)
press release
publication
·
1 year ago
Assessment of river sediment toxicity: Combining empirical zebrafish embryotoxicity testing with in silico toxicity characterization
by
Sanja Babić
,
Josip Barišić
,
Draženka Stipaničev
,
Siniša Repec
,
Mario Lovrić
,
Olga Malev
,
Dalma Martinović-Weigelt
,
Rozelindra Čož-Rakovac
,
Göran Klobučar
(
University of St Thomas
,
University of Zagreb
)
publication
·
1 year ago
Sorption and Desorption Mechanisms of Cationic and Zwitterionic Per- and Polyfluoroalkyl Substances in Natural Soils: Thermodynamics and Hysteresis
by
Feng Xiao
,
Bosen Jin
,
Svetlana A. Golovko
,
Mikhail Y. Golovko
,
Baoshan Xing
(
University of Massachusetts
,
University of North Dakota
)
publication
·
1 year ago
Neonicotinoid insecticide design: molecular docking, multiple chemometric approaches, and toxicity relationship with Cowpea aphids
by
Simona Funar-Timofei
,
Takahiro Suzuki
,
Alina Bora
(
Toyo University
,
Institute of Chemistry Timisoara of the Romanian Academy
)
publication
·
1 year ago
Following the oxidation state of organosulfur compounds with NMR: Experimental data versus DFT calculations and database-powered NMR prediction
by
P.W. Szafranski
,
M. E. Trybula
,
P.Kasza
,
M. T. Cegla
(
Jagiellonian University Medical College
,
Polish Academy of Sciences
,
Royal Institute of Technology
)
publication
·
1 year ago
Codrug Approach for the Potential Treatment of EML4-ALK Positive Lung Cancer
by
Aimie E. Garces
,
Mohammed Al-Hayali
,
Jong Bong Lee
,
Jiaxin Li
,
Pavel Gershkovich
,
Tracey D. Bradshaw
,
Michael J. Stocks
(
University Park Nottingham
)
publication
·
1 year ago
BioTransformer: a comprehensive computational tool for small molecule metabolism prediction and metabolite identifcation
by
David S. Wishart
,
Yannick Djoumbou-Feunang
,
Jarlei Fiamoncini
,
Alberto Gil-de-la-Fuente
,
Russell Greiner
,
Claudine Manach
(
University of Alberta
)
publication
·
1 year ago
Allamanda cathartica: A Review of the Phytochemistry, Pharmacology, Toxicology, and Biotechnology
by
RODOLFO ABARCA-VARGAS
,
VERA L. PETRICEVICH
(
UAEM
,
University in Cuernavaca
)
publication
·
1 year ago
Bougainvillea Genus: A Review on Phytochemistry, Pharmacology, and Toxicology
by
RODOLFO ABARCA-VARGAS
,
VERA L. PETRICEVICH
(
UAEM
,
University in Cuernavaca
)
publication
·
1 year ago
Nuclear Receptors Database Including Negative Data (NR-DBIND): A Database Dedicated to Nuclear Receptors Binding Data Including Negative Data and Pharmacological Profile
by
Manon Reau
,
Nathalie Lagarde
,
Jean-Francois Zagury
,
Matthieu Montes
(
Université Paris Diderot (Paris 7)
)
publication
·
1 year ago
C-H Functionalizations by Palladium Carboxylates: The Acid Effect
by
Jiri Van
,
Jan Bartacek
,
Jana Roithova
,
Jiri Hanusek
,
Milos Sedlak
(
University of Pardubice
,
Radboud University
)
publication
·
1 year ago
Anandamide targets aromatase: A breakthrough on human decidualization
by
Marta Almada
,
Ana Oliveira
,
Cristina Amaral
,
Pedro Alexandrino Fernandes
,
Maria João Ramos
,
Bruno Fonseca
,
Georgina Correia-da-Silva
,
Natercia Teixeira
(
University of Porto
)
publication
·
1 year ago
Salt-assisted pyrolysis of covalent organic frameworks to porous heteroatom-doped carbons for supercapacitive energy storage
by
Dongwan Yan
,
Yang Wu
,
Ryo Kitaura
,
Kunio Awaga
(
Nagoya University
)
publication
·
1 year ago
Terpenoids from Euphorbia pedroi as Multidrug-Resistance Reversers
by
Ricardo J Ferreira
,
Daniel J. V. A. dos Santos
,
Annamaria Kincses
,
Mario ́Gajdacs
,
Gabriella Spengler
,
Joseph Molnar
,
́ Maria-Jose. Ferreira
(
University of Lisbon
,
University of Porto
,
University of Szeged
)
publication
·
1 year ago
Optimization of Physicochemical Properties for 4‐Anilinoquinoline Inhibitors of Plasmodium falciparum Proliferation
by
Naimee Mehta
,
Lori Ferrins
,
Susan E. Leed
,
Richard J. Sciotti
,
Michael P. Pollastri
(
Northeastern University
,
Walter Reed Army Institute for Research
)
publication
·
1 year ago
Cellular Uptake of the Atypical Antipsychotic Clozapine Is a Carrier- Mediated Process
by
Anne T. Nies
,
Elke Schaeffeler
,
Matthias Schwab
,
David Dickens
,
Steffen Radisch
,
George N. Chiduza
,
Athina Giannoudis
,
Michael J. Cross
,
Hassan Malik
,
Rowena L. Sison-Young
,
Emma L. Wilkinson
,
Christopher E. Goldring
,
Munir Pirmohamed
(
University of Liverpool
,
University Tübingen
,
University Hospital Tübingen
,
Dr. Margarete Fischer-Bosch Institute of Clinical Pharmacology
)
publication
·
1 year ago
Combined Ligand- and Receptor-Based Virtual Screening Methodology to Identify Structurally Diverse Protein Tyrosine Phosphatase 1B Inhibitors
by
Aleix Gimeno
,
Andrea Ardid‐Ruiz
,
Maria Jose Ojeda‐Montes
,
Sarah Tomás‐Hernandez
,
Adria Cereto‐Massague
,
Raul Beltran‐Debon
,
Miquel Mulero
,
Cristina Valls
,
Gerard Aragones
,
Manuel Suarez
,
Gerard Pujadas
,
Santiago Garcia‐Vallve
(
Rovira i Virgili University
)
publication
·
1 year ago
Synthesis, structural, spectroscopic and DFT study on a palladium(II)- N-heterocyclic carbene complex
by
Rukiye Firinci
,
M. Emin Gunay
,
Namık Ozdemir
,
Muharrem Dincer
(
Adnan Menderes University
,
Ondokuz Mayıs University
)
publication
·
1 year ago
Pharmacophore-based screening and drug repurposing exemplified on glycogen synthase kinase-3 inhibitors
by
Sorin Avram
,
Luminita Crisan
,
Liliana Pacureanu
(
Institute of Chemistry of the Romanian Academy Timisoara
)
publication
·
1 year ago
Combined molecular docking and QSAR study of fused heterocyclic herbicide inhibitors of D1 protein in photosystem II of plants
by
Simona Funar-Timofei
,
Ana Borota
,
Luminita Crisan
(
Institute of Chemistry of the Romanian Academy Timisoara
)
publication
·
1 year ago
Removal of amoxicillin from simulated hospital effluents by adsorption using activated carbons prepared from capsules of cashew of Para
by
Eder C.Lima
,
Silvio L.P.Dias
,
Cibele S. Umpierres
,
Diana Ramos Lima
,
Pascal Silas Thue
,
Ghadir A. El-Chaghaby
,
Raphaelle Sanches da Silva
,
Flavio A. Pavan
,
Camille Biron
(
Federal University of Rio Grande do Sul (UFRGS)
,
Federal University of Pampa
,
RCFF-Agricultural Research Center
)
publication
·
1 year ago
Microwave-activated carbons from tucuma (Astrocaryum aculeatum) seed for efficient removal of 2-nitrophenol from aqueous solutions
by
Pascal S.Thue
,
Eder C.Lima
,
Silvio L.P.Dias
,
Cibele S. Umpierres
,
Glaydson S. dos Reis
,
Irineu A. S. de Brum
,
Wagner S. de Alencar
,
Guilherme L. Dotto
(
Federal University of Rio Grande do Sul (UFRGS)
,
Federal University of Santa Maria (UFSM)
,
Federal University of South and Southeast of Para (UNIFESSPA)
)
publication
·
1 year ago
Synthesis and in silico evaluation of 1N-methyl-1S-methyl-2- nitroethylene (NMSM) derivatives against Alzheimer disease: to understand their interacting mechanism with acetylcholinesterase
by
M. Kannan
,
P. Manivel
,
K. Geetha
,
J. Muthukumaran
,
H. Surya Prakash Rao
,
R. Krishna
(
Pondicherry University
)
presentation
·
1 year ago
Leveraging ChemAxon’s technology for future product developments
by
Rosalind Sankey
(
ChemAxon
,
Elsevier
)
presentation
·
1 year ago
RInCHI Use Case
by
István Őri
,
Gerd Blanke
(
ChemAxon
,
StructurePendium
)
publication
·
1 year ago
Synthesis, Pharmacology, and Molecular Docking Studies on 6-Desoxo-N-methylmorphinans as Potent Opioid Receptor Agonists
by
Maria Dumitrascuta
,
Tanila Ben Haddou
,
Elena Guerrieri
,
Stefan M. Noha
,
Lea Schlafer
,
Helmut Schmidhammer
,
Mariana Spetea
(
University of Innsbruck
)
presentation
·
1 year ago
Enrichment of Analytical Data by Adding Chemical Information
by
Patrick Boba
(
BSSN Software
)
presentation
·
1 year ago
Marvin: Chemical Drawing with ChemAxon's Tools
by
Eufrozina Hoffmann
(
ChemAxon
)
presentation
·
1 year ago
ChemAxon and SciBite Use Case
by
Neal Dunkinson
(
SciBite
)
presentation
·
1 year ago
ChemAxon and ONTOFORCE Use Case
by
Peter Verrykt
(
ONTOFORCE
)
presentation
·
1 year ago
ChemAxon and Mestrelab Use Case
by
Guy Desmarquets
(
Mestrelab Research
)
presentation
·
1 year ago
IDBS and ChemAxon Use Case
by
Ian Peirson
(
IDBS
)
presentation
·
1 year ago
ChemAxon and Enamine Use Case
by
Andrii Buvailo
(
Enamine
)
presentation
·
1 year ago
ChemAxon and Chemantics Use Case
by
Matthias Nolte
(
ChemAxon
,
Chemantics
)
presentation
·
1 year ago
ChemAxon and Certara Use Case
by
Nina Hofle
(
ChemAxon
,
Certara
)
presentation
·
1 year ago
Egis 5 years with ChemAxon
by
András Dancsó
(
ChemAxon
,
Egis Pharmaceuticals
)
presentation
·
1 year ago
Certara and ChemAxon Use Case
by
Aaron Hohos
(
Certara
)
publication
·
1 year ago
Sensitive Analysis of Sialic Acid and Related Compound by Hydrophilic Interaction Liquid Chromatography Using Fluorescence Detection after Derivatization with DBD-PZ
by
Akane Kawaski
,
Makoto Yasuda
,
Ken-ichi Mawatari
,
Tomoko Fukuuchi
,
Noriko Yamaoka
,
Kiyoko Kaneko
,
Ryosuke Iijimo
,
Satoru Yui
,
Motonobu Satoh
,
Kazuya Nakagomi
(
Teikyo University
)
publication
·
1 year ago
EDCs DataBank: 3D-Structure database of endocrine disrupting chemicals
by
Diana Montes-Grajales
,
Jesus Olivero-Verbel
(
University of Cartagena
)
presentation
·
1 year ago
ChemAxon Portfolio
by
Dávid Malatinszky
(
ChemAxon
)
publication
·
1 year ago
Exploring Modifications of an HIV-1 Capsid Inhibitor: Design, Synthesis, and Mechanism of Action
by
Li-Zhuang Xu
,
Ashwanth C. Francis
,
Megan E. Meuser
,
Marie Mankowski
,
Roger G. Ptak
,
Adel A. Rashad
,
Gregory B. Melikyan
,
Simon Cocklin
(
Drexel University College of Medicine
,
Southern Research Institute
,
Emory University
)
publication
·
1 year ago
Enhanced antimalarial activity of plasmepsin V inhibitors by modification of the P2 position of PEXEL peptidomimetics
by
Brad E. Sleebs
,
Matthew T. O’Neill
,
Alan F. Cowman
,
Justin A. Boddey
,
Kate E. Jarman
,
William Nguyen
,
Anthony N. Hodder
,
Richard Bestel de Lezongard
,
Peter E. Czabotar
,
Jennifer K. Thompson
,
Helene Jousset Sabroux
(
The University of Melbourne
)
presentation
·
1 year ago
IDBS & ChemAxon: Our Strategic Partnership
by
Ian Peirson
(
IDBS
)
presentation
·
1 year ago
A Connected ELN
by
Rory Macneil
(
ResearchSpace
)
publication
·
1 year ago
A novel cluster of C5-curcuminoids: design, synthesis, in vitro antiproliferative activity and DNA binding of bis(arylidene)-4-cyclanone derivatives based on 4-hydroxycyclohexanone scaffold
by
Péter Horváth
,
Imre Huber
,
István Zupkó
,
András Gyovai
,
Eszter Kiss
,
Gergely Gulyás‑Fekete
,
János Schmidt
,
Pál Perjési
(
Semmelweis University
,
University of Szeged
,
University of Pécs
)
news
·
1 year ago
Wendy Warr's Report: European User Meeting 2019
by
Wendy Warr
(
Wendy Warr & Associates
)
Wendy Warr
publication
·
1 year ago
Neo-Chlorogenic Acid: Conformational and Molecular Analysis by Semi-Empirical Methods
by
Caio Henrique Alexandre Roberto
,
Emmanuel Silva Marinho
,
Othon Souto Campos
(
Ceara State University
)
publication
·
1 year ago
Functionalised bicyclic tetramates derived from cysteine as antibacterial agents
by
Tharindi D. Panduwawala
,
Sarosh Iqbal
,
Amber L. Thompson
,
Miroslav Genov
,
Alexander Pretsch
,
Dagmar Pretsch
,
Shuang Liu
,
Richard H. Ebright
,
Alison Howells
,
Anthony Maxwell
,
Mark G. Moloney
(
University of Oxford
,
Norwich Research Park
,
The Oxford Science Park
,
Rutgers University
)
publication
·
1 year ago
A Multi-Technique Investigation of a New Macroacyclic Schiff Base Ligand and its Cd(II), Zn(II) and Cu(II) Complexes
by
Reza Golbedaghi
,
Licinia L. G. Justino
,
Rui Fausto
,
Soraya Safarabadi
,
Maryam Alvandic
(
University of Coimbra
,
Payame Noor University
,
Hamedan University of Medical Sciences
)
presentation
·
1 year ago
Mastering MarvinJS - Drawing tool for Mastering Chemistry
by
Jeanne Zalesky
,
Margaret Trombley
,
Charles Hall
,
Meaghan Fallano
,
Chris Hess
(
Pearson Education
)
presentation
·
1 year ago
Marvin - Chemical drawing with ChemAxon’s Tools
by
Eufrozina Hoffmann
(
ChemAxon
)
publication
·
1 year ago
Structural Characterization of Agonist Binding to Protease- Activated Receptor 2 through Mutagenesis and Computational Modeling
by
Jens Carlsson
,
Amanda J. Kennedy
,
Flavio Ballante
,
Johan R. Johansson
,
Graeme Milligan
,
Linda Sundstrom
,
Anneli Nordqvist
(
AstraZeneca
,
Uppsala University
,
University of Glasgow
)
publication
·
1 year ago
Conjugates of methylene blue with y-carboline derivatives as new multifunctional agents for the treatment of neurodegenerative diseases
by
Rudy J. Richardson
,
Galina F. Makhaeva
,
Sofya V. Lushchekina
,
Natalia P. Boltneva
,
Vladimir B. Sokolov
,
Gjumrakch Aliev
,
Sergey O. Bachurin
,
Elena F. Shevtsova
,
Nadezhda V. Kovaleva
,
Elena V. Rudakova
,
Ludmila G. Dubova
,
Vladimir P. Fisenko
,
Daria V. Vinogradova
,
Alexey Yu. Aksinenko
(
Russian Academy of Sciences
,
University of Michigan
,
GALLY International Biomedical Research Consulting LLC
,
University of Atlanta
)
publication
·
1 year ago
A novel codrug made of the combination of ethionamide and its potentiating booster: synthesis, self-assembly into nanoparticles and antimycobacterial evaluation
by
Didier Desmaële
,
Alexandra Pastor
,
Arnaud Machelart
,
Xue Li
,
Nicolas Willand
,
Alain Baulard
,
Priscille Brodin
,
Ruxandra Gref
(
Université Paris-Sud
,
Centre National pour la Recherche Scientifique (CNRS)
,
Université de Lille
)
publication
·
1 year ago
Potent 3-Hydroxy-2-Pyridine Aldoxime Reactivators of Organophosphate-Inhibited Cholinesterases with Predicted Blood–Brain Barrier Penetration
by
Tamara Zorbaz
,
Anissa Braiki
,
Nikola Marakovic
,
Julien Renou
,
Eugenio de la Mora
,
Nikolina Macek Hrvat
,
Maja Katalinic
,
Israel Silman
,
Joel L. Sussman
,
Guillaume Mercey
,
Catherine Gomez
,
Romain Mougeot
,
Beln Prez
,
Rachid Baati
,
Florian Nachon
,
Martin Weik
,
Ludovic Jean
,
Zrinka Kovarik
,
Pierre-Yves Renard
(
Weizmann Institute of Science
,
Centre National pour la Recherche Scientifique (CNRS)
,
University of Barcelona
,
Grenoble Alps University
,
Institute for Medical Research and Occupational Health Zagreb
)
publication
·
1 year ago
Inhibition of Human Drug Transporter Activities by the Pyrethroid Pesticides Allethrin and Tetramethrin
by
Lisa Chedik
,
Arnaud Bruyere
,
Marc Le Vee
,
Bruno Stieger
,
Claire Denizot
,
Yannick Parmentier
,
Sophie Potin
,
Olivier Fardel
(
Université de Rennes1
,
University of Zurich
)
publication
·
1 year ago
A phenotypic approach to the discovery of compounds that promote non-amyloidogenic processing of the amyloid precursor protein: Toward a new profile of indirect b-secretase inhibitors
by
Marion Gay
,
Caroline Evrard
,
Florian Descamps
,
Pascal Carato
,
Nicolas Renault
,
Mathilde Coevoet
,
Sabiha Eddarkaoui
,
Catherine Baud
,
Paul-Emmanuel Larchanche
,
Luc Buee
,
Jamal El Bakali
,
Valerie Vingtdeux
,
Nicolas Sergeant
,
Patricia Melnyk
(
Université de Lille
)
publication
·
1 year ago
From Click Chemistry to Cross-Coupling: Designer Polymers from One Efficient Reaction
by
David H. Howe
,
Riki M. McDaniel
,
Andrew J. D. Magenau
(
Drexel University
)
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