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Total posts by MarvinSketch: 336
news
·
1 year ago
ChemAxon Provides Direct Link from MarvinSketch to Google Scholar and Google Patents
Partner
press release
news
·
1 year ago
Wendy Warr's Report: Cheminfo Stories 2020
by
Wendy Warr
presentation
·
1 year ago
Portfolio Presentation
by
Dávid Malatinszky
,
Jan Christopherson
(
ChemAxon
)
publication
·
2 years ago
Adsorption of perfluoroalkyl substances (PFAS) in groundwater by granular activated carbons: Roles of hydrophobicity of PFAS and carbon characteristics
by
Minkyu Park
,
Shimin Wu
,
Israel J. Lopez
,
Joseph Y. Chang
,
Tanju Karanfil
,
Shane A. Snyder
(
Nanyang Technological University
,
University of Arizona
,
Clemson University
)
publication
·
2 years ago
Evaluation of commercially available styrene-co-maleic acid polymers for the extraction of membrane proteins from spinach chloroplast thylakoids
by
Olena Korotych
,
Jyotirmoy Mondal
,
Kerim M. Gattás-Asfura
,
Jessica Hendricks
,
Barry D. Bruce
(
University of Florida
,
University of Tennessee at Knoxville
)
publication
·
2 years ago
Picogram per liter quantification of pyrethroid and organophosphate insecticides in surface waters: a result of large enrichment with liquid–liquid extraction and gas chromatography coupled to mass spectrometry using atmospheric pressure chemical ionization
by
Juliane Hollender
,
Heinz Singer
,
Andrea Rösch
,
Birgit Beck
(
Eawag
,
Swiss Federal Institute of Aquatic Science and Technology
,
ETH Zurich
)
publication
·
2 years 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
·
2 years ago
In silico study of 4- phosphorylated derivatives of 1,3-oxazole as inhibitors of Candida albicans fructose-1,6- bisphosphate aldolase II
by
Ivan V. Semenyuta
,
Oleksandr L. Kobzar
,
Diana M. Hodyna
,
Volodymyr S. Brovarets
,
Larysa O. Metelytsia
(
National Academy of Sciences of Ukraine
)
publication
·
2 years 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
·
2 years ago
Allamanda cathartica: A Review of the Phytochemistry, Pharmacology, Toxicology, and Biotechnology
by
RODOLFO ABARCA-VARGAS
,
VERA L. PETRICEVICH
(
UAEM
,
University in Cuernavaca
)
publication
·
2 years ago
Bougainvillea Genus: A Review on Phytochemistry, Pharmacology, and Toxicology
by
RODOLFO ABARCA-VARGAS
,
VERA L. PETRICEVICH
(
UAEM
,
University in Cuernavaca
)
publication
·
2 years 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
)
presentation
·
2 years ago
Marvin: Chemical Drawing with ChemAxon's Tools
by
Eufrozina Hoffmann
(
ChemAxon
)
presentation
·
2 years ago
ChemAxon Portfolio
by
Dávid Malatinszky
(
ChemAxon
)
publication
·
2 years ago
Design, Synthesis, and Biological Evaluation of a New Series of Carvedilol Derivatives That Protect Sensory Hair Cells from Aminoglycoside-Induced Damage by Blocking the Mechanoelectrical Transducer Channel
by
Simon E. Ward
,
Molly O’Reilly
,
Nerissa K. Kirkwood
,
Emma J. Kenyon
,
Rosemary Huckvale
,
Daire M. Cantillon
,
Simon J. Waddell
,
Guy P. Richardson
,
Corne J. Kros
,
Marco Derudas
(
University of Sussex
,
Cardiff University
)
presentation
·
2 years ago
Marvin - Chemical drawing with ChemAxon’s Tools
by
Eufrozina Hoffmann
(
ChemAxon
)
publication
·
2 years ago
Characterization of the Penetration of the Blood–Brain Barrier by High-Performance Liquid Chromatography (HPLC) Using a Stationary Phase with an Immobilized Artificial Membrane
by
Rafael Dolezal
,
Kamil Kuca
,
Ondrej Soukup
,
Natalie Karaskova
,
Karel Musil
,
Martin Novak
,
Nadezhda V. Maltsevskaya
,
David Malinak
,
Karel Kolar
,
Jana Zdarova Karasova
(
University of Hradec Kralove
,
Charles University
,
University of Defense Hradec Kralove
)
publication
·
2 years ago
Investigation of New Orexin 2 Receptor Modulators Using In Silico and In Vitro Methods
by
Jana Janockova
,
Rafael Dolezal
,
Eugenie Nepovimova
,
Tereza Kobrlova
,
Marketa Benkova
,
Kamil Kuca
,
Jan Konecny
,
Eva Mezeiova
,
Michaela Melikova
,
Vendula Hepnarova
,
Avi Ring
,
Ondrej Soukup
,
Jan Korabecny
(
University Hospital Hradec Kralove
,
University of Defence
,
University of Hradec Kralove
)
publication
·
2 years ago
Synthesis, molecular docking and biological evaluation of N,N-disubstituted 2-aminothiazolines as a new class of butyrylcholinesterase and carboxylesterase inhibitors
by
Rudy J. Richardson
,
Galina F. Makhaeva
,
Sofya V. Lushchekina
,
Natalia P. Boltneva
,
Olga G. Serebryakova
,
Sergey O. Bachurin
,
Tatyana S. Stupina
,
Alexey A. Terentiev
,
Igor V. Serkov
,
Alexey N. Proshin
(
Russian Academy of Sciences
,
University of Michigan
)
publication
·
2 years ago
2‐Phenylquinoline S. aureus NorA Efflux Pump Inhibitors: Evaluation of the Importance of Methoxy Group Introduction
by
Katarzyna Kiec-Kononowicz
,
Gniewomir Latacz
,
Tommaso Felicetti
,
Rolando Cannalire
,
Donatella Pietrella
,
Annamaria Lubelska
,
Giuseppe Manfroni
,
Maria Letizia Barreca
,
Serena Massari
,
Oriana Tabarrini
,
Bryan D. Schindler
,
Glenn W. Kaatz
,
Violetta Cecchetti
,
Stefano Sabatini
(
Jagiellonian University Medical College
,
University of Perugia
,
Wayne State University
)
publication
·
2 years 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
·
2 years ago
Emerging Fluorescent Molecular Tracers to Guide Intra-Operative Surgical Decision-Making
by
Pieterjan Debie
,
Sophie Hernot
(
Vrije University Brussel
)
publication
·
2 years 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
)
publication
·
2 years ago
Analysis of the Frequency and Diversity of 1,3-Dialkylimidazolium Ionic Liquids Appearing in the Literature
by
Vincent F. Scalfani
,
Ali Al Alshaikh
,
Jason E. Bara
(
University of Alabama
)
publication
·
2 years ago
The impact of chloride or bromide ions on the advanced oxidation of atrazine by combined electrolysis and ozonation
by
Greg L. Saylor
,
Margaret J. Kupferle
(
University of Cincinnati
)
presentation
·
3 years ago
ChemAxon Product Portfolio
by
Dávid Malatinszky
(
ChemAxon
)
publication
·
3 years ago
Economical and Simple Preparation of Oleyl Bromide from Commercially Available Olive Oil
by
Marcelo D. Preite
,
Francisco J. Castillo
,
Claudia M. Urbina
,
Rodrigo E. Faundez
,
Juan M. Manriquez
,
Ivonne A. Chavez
(
The Pontifical Catholic University of Chile
)
publication
·
3 years ago
Morphing of Ibogaine: A Successful Attempt into the Search for Sigma-2 Receptor Ligands
by
Giuseppe Floresta
,
Emanuele Amata
,
Davide Gentile
,
Agostino Marrazzo
,
Antonio Rescifina
,
Maria Dichiara
,
Orazio Prezzavento
(
University of Catania
,
University of Bari Aldo Moro
)
publication
·
3 years ago
Fourfold Filtered Statistical/Computational Approach for the Identification of Imidazole Compounds as HO-1 Inhibitors from Natural Products
by
Valeria Pittalà
,
Loredana Salerno
,
Giuseppe Romeo
,
Giuseppe Floresta
,
Emanuele Amata
,
Davide Gentile
,
Agostino Marrazzo
,
Antonio Rescifina
(
University of Catania
,
University of Bari Aldo Moro
)
publication
·
3 years ago
Data Visualization, Regression, Applicability Domains and Inverse Analysis Based on Generative Topographic Mapping
by
Hiromasa Kaneko
(
Meiji University
)
publication
·
3 years ago
Foodinformatics: Quantitative Structure-Property Relationship Modeling of Volatile Organic Compounds in Peppers
by
Cristian Rojas
,
Pablo R. Duchowicz
,
Eduardo A. Castro
(
The Institute of Theoretical and Applied Physicochemical Research (INIFTA)
,
University of Azuay
)
publication
·
3 years ago
QSARs to predict adsorption affinity of organic micropollutants for activated carbon and b-cyclodextrin polymer adsorbents
by
Max J.Klemes
,
Scott Steinschneider
,
William R.Dichtel
,
Damian E.Helbling
,
Yuhan Ling
(
Northwestern University
,
Cornell University
)
poster
·
3 years ago
Simultaneous Detection of Oxygen and Hydrogen Peroxide on Fluorine Doped Tin Oxide Electrodes
by
Tomasz Swebocki
,
Daniel Firganek
,
Karolina Dziąbowska
,
Żaneta Kłostowska
,
Anna Wcisło
,
Tadeusz Ossowski
(
Polish Academy of Sciences
,
University of Gdansk
)
publication
·
3 years ago
Designing High-Refractive Index Polymers Using Materials Informatics
by
Vishwesh Venkatraman
,
Bjorn Kare Alsberg
(
Norwegian University of Life Science
)
publication
·
3 years ago
Identification of a selective inhibitor of human monocarboxylate transporter 4
by
Yuya Futagi
,
Masaki Kobayashi
,
Katsuya Narumi
,
Ayako Furugen
,
Ken Iseki
(
Hokkaido University
,
Japan Society for the Promotion of Science (JSPS)
)
publication
·
3 years ago
Inhibitory effects of arylcoumarin derivatives on Bacteroides fragilis D-lactate dehydrogenase
by
Ozal Mutlu
,
Ozkan Danis
,
Basak Yuce-Dursun
,
Erennur Ugurel
,
Cihan Gunduz
,
Dilek Turgut-Balik
(
Marmara University
,
Yıldız Technical University
,
Manhattan College
)
publication
·
3 years ago
Purified NADH-cytochrome b5 reductase is a novel superoxide anion source inhibited by apocynin: sensitivity to nitric oxide and peroxynitrite
by
Alejandro K. Samhan-Arias
,
Carlos Gutierrez-Merino
(
University of Extremadura
)
publication
·
3 years ago
LigQ: A Webserver to Select and Prepare Ligands for Virtual 2 Screening
by
Xavier Barril
,
Marcelo A. Marti
,
Adrian G. Turjanski
,
Leandro Radusky
,
Sergio Ruiz-Carmona
,
Carlos Modenutti
(
University of Buenos Aires
,
University of Barcelona
,
Catalan Institution for Research and Advanced Studies (ICREA)
)
publication
·
3 years ago
In Silico Fragment-Based Design Identifies Subfamily B1 Metallo-B- lactamase Inhibitors
by
Christopher J. Schofield
,
Colin W. G. Fishwick
,
Ricky Cain
,
Jurgen Brem
,
David Zollman
,
Michael A. McDonough
,
Rachel M. Johnson
,
James Spencer
,
Anne Makena
,
Martine I. Abboud
,
Samuel Cahill
,
Sook Y. Lee
,
Peter J. McHugh
(
University of Leeds
,
University of Oxford
,
University of Bristol
,
John Radcliffe Hospital
)
publication
·
3 years ago
PSMA-targeted contrast agents for intraoperative imaging of prostate cancer
by
Jeong Heon Lee
,
Kai Bao
,
Georges El Fakhri
,
Hak Soo Choi
,
Homan Kang
,
Kate Park
(
Harvard Medical School
,
Massachusetts General Hospital
,
Shenyang Pharmaceutical University
)
publication
·
3 years ago
Site-Specific In Vivo Bioorthogonal Ligation via Chemical Modulation
by
Heebeom Koo
,
Jeong Heon Lee
,
Kai Bao
,
Yunshan Wu
,
Georges El Fakhri
,
Maged Henary
,
Seok Hyun Yun
,
Hak Soo Choi
(
Harvard Medical School
,
Massachusetts General Hospital
,
The Catholic University of Korea
,
Georgia State University
,
Gordon Center for Medical Imaging
,
Wellman Center for Photomedicine
)
publication
·
3 years ago
Structural and Thermodynamic Basis of (+)-α-Pinene Binding to Human Cytochrome P450 2B6
by
P. Ross Wilderman
,
Manish B. Shah
,
Hyun-Hee Jang
,
C. David Stout
,
James R. Halpert
(
The Scripps Research Institute
,
University of California
)
publication
·
3 years ago
Optimization of a 1,3,4-oxadiazole series for inhibition of Ca2þ/ calmodulin-stimulated activity of adenylyl cyclases 1 and 8 for the treatment of chronic pain
by
Jatinder Kaur
,
Monica Soto-Velasquez
,
Zhong Ding
,
Ahmadreza Ghanbarpour
,
Markus A. Lill
,
Richard M. van Rijn
,
Val J. Watts
,
Daniel P. Flaherty
(
Purdue University
)
publication
·
3 years ago
Novel medium-throughput technique for investigating drug-cyclodextrin complexation by pH-metric titration using the partition coefficient method
by
György T. Balogh
,
Lajos Szentee
,
Gergo Dargo
,
Krisztina Boros
,
Laszlo Peter
,
Milo Malanga
,
Tamas Sohajda
(
Richter Gedeon
,
Hungarian Academy of Sciences
,
Budapest University of Technology and Economics
,
Cyclolab Cyclodextrin Research and Development Ltd
)
publication
·
3 years ago
A Homodimer Model Can Resolve the Conundrum as to How Cytochrome P450 Oxidoreductase and Cytochrome b5 Compete for the Same Binding Site on Cytochrome P450c17
by
Michael W. Parker
,
Jessica K. Holien
,
Alan J. Conley
,
C. Jo Corbin
,
Raymond J. Rodgers
,
Lisandra L. Martin
(
Monash University
,
University of California Davis
,
University of Melbourne
,
University of Adelaide
,
St. Vincent's Institute of Medical Research
)
publication
·
3 years ago
Design, Modeling, Synthesis and in Vitro Evaluation of New DPP-IV Inhibitors
by
Ahmed S. Mehanna
,
Rachit M. Shah
,
Moataz A. Hendawy
(
University of Minnesota
,
MCPHS University
)
publication
·
3 years ago
A Structure- and Ligand-Based Virtual Screening of a Database of “Small” Marine Natural Products for the Identification of “Blue” Sigma-2 Receptor Ligands
by
Giuseppe Floresta
,
Emanuele Amata
,
Carla Barbaraci
,
Davide Gentile
,
Rita Turnaturi
,
Agostino Marrazzo
,
Antonio Rescifina
(
University of Catania
)
publication
·
3 years ago
P-Type Low-Molecular-Weight Hydrogelators
by
Emily R. Draper
,
Bart Dietrich
,
Christopher Brasnett
,
Stephen Sproules
,
Tom O. McDonald
,
Annela M. Seddon
,
and Dave J. Adams
(
University of Liverpool
,
University of Glasgow
,
University of Bristol
)
publication
·
3 years ago
Rapid Method Development in Hydrophilic Interaction Liquid Chromatography for Pharmaceutical Analysis
by
Maryam Taraji
,
Paul R. Haddad
,
Ruth I.J. Amos
,
Mohammad Talebi
,
Roman Szucs
,
John W. Dolan
,
Christopher A. Pohl
(
Australian Centre for Research on Separation Science
,
University of Tasmania
)
publication
·
3 years ago
Use of dual-filtering to create training sets leading to improved accuracy in quantitative structure-retention relationships modelling for hydrophilic interaction liquid chromatographic systems
by
Maryam Taraji
,
Paul R. Haddad
,
Ruth I.J. Amos
,
Mohammad Talebi
,
Roman Szucs
,
John W. Dolan
,
Christopher A. Pohl
(
Australian Centre for Research on Separation Science
,
University of Tasmania
)
publication
·
3 years ago
Toward More Drug Like Inhibitors of Trypanosome Alternative Oxidase
by
Simon E. Ward
,
Ryan A. West
,
Thomas Cunningham
,
Lewis E. Pennicott
,
Srinivasa P. S. Rao
(
University of Sussex
,
Cardiff University
,
Novartis Institutes for Tropical Diseases
)
publication
·
3 years ago
A Novel Model to Predict Infinite Dilution Solubility Coefficients in Glassy Polymers
by
Mikhail Goubko
,
Oleg Miloserdov
,
Yuri Yampolskii
,
Alexander Alentiev
,
Victoria Ryzhikh
(
Russian Academy of Sciences
)
publication
·
3 years ago
LC-UV-HRMS dereplication of secondary metabolites from Brazilian Vernonieae (Asteraceae) species supported through in-house database
by
Marilia Elias Gallon
,
Olakunle Adeboye Jaiyesimi
,
Leonardo Gobbo-Neto
(
University of Sao Paulo
)
publication
·
3 years ago
Synthesis of a Fluorescent Analogue of Paclitaxel that Selectively Binds Microtubules and Sensitively Detects Efflux by P-Glycoprotein
by
Molly M. Lee
,
Zhe Gao
,
Blake R. Peterson
(
The University of Kansas
)
publication
·
3 years ago
Towards the systematic crystallisation of molecular ionic cocrystals: insights from computed crystal form landscapes
by
Sharmarke Mohamed
,
Ahmad A. Alwan
,
Tomislav Friščić
,
Andrew J. Morris
,
Mihails Arhangelskis
(
Khalifa University of Science and Technology
,
McGill University
,
University of Birmingham
)
publication
·
3 years ago
Optimization of 2-Anilino 4-Amino Substituted Quinazolines into Potent Antimalarial Agents with Oral in Vivo Activity
by
Brad E. Sleebs
,
Alan F. Cowman
,
Paul R. Gilson
,
Cyrus Tan
,
Kate E. Jarman
,
Kym N. Lowes
,
Joan M. Curtis
,
William Nguyen
,
Adrian E. Di Rago
,
Hayley E. Bullen
,
Boris Prinz
,
Sandra Duffy
,
Jonathan B. Baell
,
Craig A. Hutton
,
Helene Jousset Subroux
,
Brendan S. Crabb
,
Vicky M. Avery
(
Griffith University
,
Monash University
,
University of Melbourne
,
The Walter and Eliza Hall Institute of Medical Research
,
Macfarlane Burnet Institute for Medical Research and Public Health
)
publication
·
3 years ago
DD-01. Ligand and Structure-Based Virtual Screening to Discover Polypharmacological Dual EGFR and BRD4 Inhibitors
by
Stephan Schurer
,
Saurabh Mehta
,
Nagi Ayad
,
Bryce Allen
(
University of Miami
)
publication
·
3 years ago
Design, preparation and application of a Pirkle-type chiral stationary phase for enantioseparation of some racemic organic acids and molecular dynamics studies
by
Reşit Çakmak
,
Selami Ercan
,
Murat Sünkür
,
Hayrullah Yılmaz
,
Giray Topal
(
Batman University
,
Dicle University
)
publication
·
3 years ago
Ion-Pairing with Spermine Targets Theophylline To the Lungs via the Polyamine Transport System
by
Jasminder Chana
,
Ben Forbes
,
Stuart A. Jones
,
Faiza Benaouda
,
Benedetta M. Dal Corno
,
David J. Barlow
,
Robert C. Hider
,
Clive P. Page
(
King’s College London
)
publication
·
3 years 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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