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Total posts by JChem for Excel: 94
presentation
·
1 year ago
JChem for Office News
by
Ákos Papp
news
·
1 year ago
Wendy Warr's Report: Cheminfo Stories 2020
by
Wendy Warr
publication
·
2 years ago
Ligand-Based Virtual Screening Using Tailored Ensembles: A Prioritization Tool for Dual A2A Adenosine Receptor Antagonists / Monoamine Oxidase B Inhibitors
by
Yunierkis Pérez-Castillo
,
Maykel Cruz-Monteagudo
,
Aliuska Morales Helguera
,
M. Natalia D.S. Cordeiroc
,
Eduardo Tejerad
,
Cesar Paz-y-Minod
,
Aminael Sanchez-Rodriguez
,
Marta Teijeira Bautista
,
Evys Ancede-Gallardo
,
Fernando Cagide
,
Fernanda Borges
(
Central University of Las Villas
,
University of Porto
)
publication
·
2 years ago
Rational Design of Autotaxin Inhibitors by Structural Evolution of Endogenous Modulators
by
Andrew J. Morris
,
Willem-Jan Keune
,
Frances Potjewyd
,
Tatjana Heidebrecht
,
Fernando Salgado-Polo
,
Simon J. F. Macdonald
,
Lakshman Chelvarajan
,
Ahmed Abdel Latif
,
Sony Soman
,
Allan J. B. Watson
,
Craig Jamieson
,
Anastassis Perrakis
(
University of Strathclyde
,
Lexington Veterans Affairs Medical Center
,
GlaxoSmithKline R&D
,
The Netherlands Cancer Institute
)
publication
·
2 years ago
Discovery of small molecule inhibitors of adenovirus by disrupting E3-19K/ HLA-A2 interactions
by
Jinhong Rena
,
Nikita R. Dsouzab
,
Hui Dengc
,
Hyun Leea
,
Marlene Bouvierc
,
Michael E. Johnsona
(
University of Illinois
)
presentation
·
2 years ago
Certara and ChemAxon Use Case
by
Aaron Hohos
(
Certara
)
publication
·
2 years ago
Vacuum-assisted evaporative concentration combined with LC-HRMS/MS for ultra-trace-level screening of organic micropollutants in environmental water samples
by
Philipp Longree
,
Jonas Mechelke
(
Eawag
,
ETH Zurich
)
presentation
·
2 years ago
ChemAxon Portfolio
by
Dávid Malatinszky
(
ChemAxon
)
publication
·
2 years ago
Identification of Unknown Antiandrogenic Compounds in Surface Waters by Effect-Directed Analysis (EDA) Using a Parallel Fractionation Approach
by
Martin Krauss
,
Werner Brack
,
Matthias Muschket
,
Carolina Di Paolo
,
Andrew J. Tindall
,
Gerald Touak
,
Audrey Phan
,
Kristina Kirchner
,
Thomas-Benjamin Seiler
,
Henner Hollert
(
Helmholtz Centre for Environmental Research
,
RWTH Aachen University
)
publication
·
2 years ago
Non-blocking modulation contributes to sodium channel inhibition by a covalently attached photoreactive riluzole analog
by
András Málnási-Csizmadia
,
Arpad Mike
,
Peter Lukacs
,
Matyas C. Foldi
,
Luca Valanszki
,
Emilio Casanova
,
Beata Biri-Kovacs
,
Laszlo Nyitray
(
Eötvös Loránd University
,
Hungarian Academy of Sciences
,
Medical University of Vienna
,
Ludwig Boltzmann Institute for Cancer Research
)
publication
·
2 years ago
Aquatic toxicity of several textile dye formulations: Acute and chronic assays with Daphnia magna and Raphidocelis subcapitata
by
Emilio Benfenati
,
Anna Lombardo
,
Roberta Croce
,
Filippo Cina
,
Gregory Crispeyn
,
Claudia Ileana Cappelli
,
Matteo Vian
,
Simone Maiorana
,
Diego Baderna
(
IRCCS Laboratory of Environmental Chemistry and Toxicology
)
publication
·
3 years ago
Cell-Active Small Molecule Inhibitors of the DNA-Damage Repair Enzyme Poly(ADP-ribose) Glycohydrolase (PARG): Discovery and Optimization of Orally Bioavailable Quinazolinedione Sulfonamides
by
Niall M. Hamilton
,
Emma E. Fairweather
,
Nicola S. Hamilton
,
James R. Hitchin
,
Dominic I. James
,
Allan M. Jordan
,
Helen F. Small
,
Ian D. Waddell
,
Donald J. Ogilvie
,
Alison E. McGonagle
,
Daniel P. Mould
,
Kate M. Smith
,
Bohdan Waszkowycz
,
Louise A. Griffiths
,
Colin P. Hutton
,
Stuart Jones
,
Alexandra I. J. Stowell
,
Ben Acton
,
Clifford D. Jones
,
Julie A. Tucker
(
The University of Manchester
)
publication
·
3 years ago
Discovery of small molecule inhibitors of adenovirus by disrupting E3-19K/ HLA-A2 interactions
by
Michael E. Johnson
,
Hyun Lee
,
Jinhong Ren
,
Nikita R. Dsouza
,
Hui Deng
,
Marlene Bouvier
(
University of Illinois at Chicago
)
publication
·
3 years ago
Identification of novel small molecule inhibitors against NS2B/NS3 serine protease from Zika virus
by
Michael E. Johnson
,
Amy J. Rice
,
Hyun Lee
,
Jinhong Ren
,
Salvatore Nocadello
,
Isabel Ojeda
,
Samuel Light
,
George Minasov
,
Jason Vargas
,
Dhanapalan Nagarathnam
,
Wayne F. Anderson
(
University of Illinois at Chicago
,
Northwestern University
)
poster
·
3 years ago
Design, selection and in vitro evaluation of potential, small-molecule complement C1s inhibitors
by
György Dormán
,
István Hajdú
,
Zsolt Lőrincz
,
Sándor Cseh
,
Beáta Flachner
,
Katalin Szilágyi
,
Péter Gál
,
Péter Závodszky
(
Hungarian Academy of Sciences
,
Targetex Biosciences
,
University of Szeged
)
publication
·
3 years ago
Passive Permeability of Planar Lipid Bilayers to Organic Anions
by
Andrea Ebert
,
Christof Hannesschlaeger
,
Kai-Uwe Goss
,
Peter Pohl
(
Helmholtz Centre for Environmental Research
,
Johannes Kepler University Linz
,
Martin Luther University
)
publication
·
3 years ago
Occurrence of emerging persistent and mobile organic contaminants in European water samples
by
Thorsten Reemtsma
,
Stefanie Schulze
,
Daniel Zahn
,
Rosa Montes
,
Rosario Rodil
,
Jose Benito Quintana
,
Thomas P. Knepper
,
Urs Berger
(
Helmholtz Centre for Environmental Research
,
Hochschule Fresenius University of Applied Sciences
,
University of Santiago
,
University of Leipzig
)
publication
·
3 years ago
Vacuum-assisted evaporative concentration combined with LC-HRMS/MS for ultra-trace-level screening of organic micropollutants in environmental water samples
by
Philipp Longree
,
Juliane Hollender
,
Heinz Singer
,
Jonas Mechelke
(
Eawag
,
Swiss Federal Institute of Aquatic Science and Technology
,
ETH Zurich
)
publication
·
3 years ago
Performance of combined fragmentation and retention prediction for the identification of organic micropollutants by LC-HRMS
by
Martin Krauss
,
Tobias Schulze
,
Werner Brack
,
Emma L. Schymanski
,
Meng Hu
,
Erik Muller
,
Christoph Ruttkies
(
Eawag
,
Helmholtz Centre for Environmental Research
,
RWTH Aachen University
,
University of Luxembourg
,
Leibniz Institute of Plant Biochemistry
)
publication
·
3 years ago
Chemical characterization and ecotoxicity of three soil foaming agents used in mechanized tunneling
by
Emilio Benfenati
,
Alberto Pogliaghi
,
Diego Baderna
,
Eleonora Lomazzi
,
Alice Passoni
,
Maria Ifigeneia Petoumenou
,
Renzo Bagnati
,
Marco Lodi
,
Aldo Viarengo
,
Susanna Sforzini
,
Roberto Fanelli
(
IRCCS Laboratory of Environmental Chemistry and Toxicology
,
University of Piemonte Orientale “A. Avogadro”
)
publication
·
3 years ago
Aquatic toxicity of several textile dye formulations: Acute and chronic assays with Daphnia magna and Raphidocelis subcapitata
by
Emilio Benfenati
,
Anna Lombardo
,
Roberta Croce
,
Filippo Cina
,
Gregory Crispeyn
,
Claudia Ileana Cappelli
,
Matteo Vian
,
Simone Maiorana
,
Diego Baderna
(
IRCCS Laboratory of Environmental Chemistry and Toxicology
)
publication
·
3 years ago
In-silico profiling of the biological activities of Amaryllidaceae alkaloids
by
Eman Shawky
(
Alexandria University
)
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
)
presentation
·
3 years ago
Certara-ChemAxon Synchrony for seamless analysis and design
by
Ákos Tarcsay
(
ChemAxon
,
Certara
)
publication
·
3 years ago
Minimalist Approach to Design of ComplexityEnriched Bioactive Small Molecules: Discovery of Phenanthrenoid Mimics as Antiproliferative Agents
by
Fernando Alonso
,
Maria Josefina Quezada
,
Gabriel F. Gola
,
Victoria Richmond
,
Gabriela M. Cabrera
,
Andrea A. Barquero
,
Javier A. Ramirez
(
University of Buenos Aires
)
publication
·
3 years ago
Screening of Pesticide and Biocide Patterns As Risk Drivers in Sediments of Major European River Mouths: Ubiquitous or River Basin-Specific Contamination?
by
Martin Krauss
,
Tobias Schulze
,
Werner Brack
,
Wibke Busch
,
Riccardo Massei
,
Lena Schinkel
,
Hendrik Wolschke
,
Maike Bitsch
(
Helmholtz Centre for Environmental Research
,
Aachen University
)
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
)
presentation
·
3 years ago
Revisiting Mutagenicity in River Rhine: Identification of Mutagenic Aromatic Amines
by
Werner Brack
,
Melis Muz
,
Daniel Cassier
,
Arnold Bahlmann Martin Krauss
(
Helmholtz Centre for Environmental Research
)
publication
·
3 years ago
Vessel-Specific Reintroduction of CINNAMOYL-COA REDUCTASE1 (CCR1) in Dwarfed ccr1 Mutants Restores Vessel and Xylary Fiber Integrity and Increases Biomass
by
Barbara De Meester
,
Lisanne de Vries
,
Merve Özparpucu
,
Notburga Gierlinger
,
Sander Corneillie
,
Andreas Pallidis
,
Geert Goeminne
,
Kris Morreel
,
Michiel De Bruyne
,
Riet De Rycke
,
Ruben Vanholme
,
Wout Boerjan
(
Ghent University
,
University of Natural Resources and Life Sciences Vienna
,
Swiss Federal Institute of Technology
,
Swiss Federal Laboratories of Materials Science and Technology
)
publication
·
3 years ago
Effect-directed analysis (EDA) of Danube River water sample receiving untreated municipal wastewater from Novi Sad, Serbia
by
Martin Krauss
,
Werner Brack
,
Muhammad Arslan Kamal Hashmi
,
Beate I. Escher
,
Ivana Teodorovic
(
Helmholtz Centre for Environmental Research
,
University Tübingen
,
University of Novi Sad
)
publication
·
3 years ago
Identification of Mutagenic Aromatic Amines in River Samples with Industrial Wastewater Impact
by
Martin Krauss
,
Werner Brack
,
Melis Muz
,
Janek Paul Dann
,
Felix Jager
(
Helmholtz Centre for Environmental Research
,
Aachen University
)
publication
·
3 years ago
Chemistry and medicinal uses of the subfamily Barnadesioideae (Asteraceae)
by
Gari V. Ccana-Ccapatinta
,
Marcelo Monge
,
Paola L. Ferreira
,
Fernando B. Da Costa
(
University of Campinas
,
University of Sao Paulo
,
Ribeirao Preto (FFCLRP)
)
publication
·
3 years ago
The discovery of 2-substituted phenol quinazolines as potent RET kinase inhibitors with improved KDR selectivity
by
Niall M. Hamilton
,
Emma E. Fairweather
,
Stuart D. Jones
,
Allan M. Jordan
,
Amanda J. Lyons
,
Helen F. Small
,
Graeme J. Thomson
,
Ian D. Waddell
,
Donald J. Ogilvie
,
Gemma V. Hopkins
,
Laura A. Maguire
,
Daniel P. Mould
,
Bohdan Waszkowycz
,
Amanda J. Watson
,
Alexandra I. J. Stowell
,
H. Nikki March
,
Rebecca Newton
,
Katherine A. Bowler
,
Emily M. Burns
,
Philip J. Chapman
,
Samantha J.R. Fritzl
,
Kristin M. Goldberg
,
Sarah V. Holt
,
Neil Q. McDonald
,
Andrew G. Purkiss
(
University of Manchester
,
Cancer Research UK London Research Institute
,
Birkbeck College
)
publication
·
3 years ago
Anilinoquinazoline inhibitors of the RET kinase domain—Elaboration of the 7-position
by
Niall M. Hamilton
,
Allan M. Jordan
,
Amanda J. Lyons
,
Helen F. Small
,
Ian D. Waddell
,
Donald J. Ogilvie
,
Gemma V. Hopkins
,
Bohdan Waszkowycz
,
Habiba Begum
,
Emma Fairweather
,
Samantha Fritzl
,
Kristin Goldberg
,
H. Nikki March
,
Rebecca Newton
,
Swamy Vishwanath
,
Amanda J. Watso
(
University of Manchester
)
publication
·
3 years ago
Promiscuity and selectivity of bitter molecules and their receptors
by
Masha Y. Niv
,
Antonella Di Pizio
(
The Hebrew University of Jerusalem
)
publication
·
3 years ago
First-in-Class Chemical Probes against Poly(ADP-ribose) Glycohydrolase (PARG) Inhibit DNA Repair with Differential Pharmacology to Olaparib
by
Emma E. Fairweather
,
Nicola S. Hamilton
,
James R. Hitchin
,
Dominic I. James
,
Allan M. Jordan
,
Ian D. Waddell
,
Donald J. Ogilvie
,
Alison E. McGonagle
,
Kate M. Smith
,
Bohdan Waszkowycz
,
Louise A. Griffiths
,
Colin P. Hutton
,
Stuart Jones
,
Paul Kelly
,
Helen Small
,
Alexandra I. J. Stowell
,
Julie Tucker
(
AstraZeneca
,
University of Manchester
)
publication
·
3 years ago
Matrix effects in human urine analysis using multi-targeted liquid chromatography-tandem mass spectrometry
by
Linda Schlittenbauer
,
Bettina Seiwert
,
Thorsten Reemtsma
(
UFZ-Helmholtz Centre for Environmental Research
)
publication
·
3 years ago
Quantitative structure-permeability relationships at various pH values for acidic and basic drugs and drug-like compounds
by
Uko Maran
,
M. Oja
(
University of Tartu
)
publication
·
3 years ago
Computational analysis and ratiometric comparison approaches aimed to assist column selection in hydrophilic interaction liquid chromatography-tandem mass spectrometry targeted metabolomics
by
Ioannis Sampsonidis
,
Michael Witting
,
Helen G. Gika
,
Philippe Schmitt-Kopplin
,
Georgios A. Theodoridis
,
Wendelin Kochb
,
Christina Virgilioua
publication
·
3 years ago
Structure-Based Consensus Scoring Scheme for Selecting Class A Aminergic GPCR Fragments
by
László Kovács
,
Róbert Kiss
,
György M. Keserű
,
Zsolt Lőrincz
,
Ádám Andor Kelemen
,
György Ferenczy
,
Beáta Flachner
(
Hungarian Academy of Sciences
)
presentation
·
3 years ago
JChem for Office goes online
by
Ákos Papp
(
ChemAxon
)
presentation
·
4 years ago
User Experience with ChemAxon Software at GSK - Past, Present & Future
by
Stephen Swanson
(
ChemAxon
,
GlaxoSmithKline
)
news
·
4 years ago
ChemAxon European User Meeting, Budapest, March 20-22, 2018
by
Wendy Warr
(
ChemAxon
,
Wendy Warr & Associates
)
Wendy Warr
presentation
·
6 years ago
JChem for Office
by
Ákos Papp
(
ChemAxon
)
publication
·
7 years ago
Chemical Interrogation of the Neuronal Kinome Using a Primary Cell-Based Screening Assay
by
Stephan C. Schürer
,
Vance Lemmon
,
Hassan Al-Ali
,
John L. Bixby
(
University of Miami
)
publication
·
7 years ago
How Are Fragments Optimized? A Retrospective Analysis of 145 Fragment Optimizations
by
György M. Keserű
,
György Ferenczy
(
Richter Gedeon
,
Semmelweis University
)
presentation
·
8 years ago
JChem for Office - Handle, Share and Report your Research Data with Live Chemistry in a Familiar Suite of Tools
by
Aurora Costache
,
Viktor Hámori
(
ChemAxon
)
presentation
·
8 years ago
New 6.0 release bits
by
Aurora Costache
(
ChemAxon
)
presentation
·
8 years ago
Sequence or structure - "You say tomaytoe, I say tomahto"
by
Jan Holst Jensen
(
Biochemfusion
)
Partner
publication
·
9 years ago
Nonsteroidal anti-inflammatory drug sensitizes Mycobacterium tuberculosis to endogenous and exogenous antimicrobials
by
Ben Gold
,
Maneesh Pingle
,
Steven J. Brickner
,
Nilesh Shah
,
Julia Roberts
,
Mark Rundell
,
W. Clay Bracken
,
Thulasi Warrier
,
Selin Somersan
,
Aditya Venugopal
,
Crystal Darby
,
Xiuju Jiang
,
J. David Warren
,
Joseph Fernandez
,
Ouathek Ouerfelli
,
Eric L. Nuermberger
,
Amy Cunningham-Bussel
,
Poonam Rath
,
Tamutenda Chidawanyika
,
Haiteng Deng
,
Ronald Realubit
,
J. Fraser Glickman
,
Carl F. Nathan
(
Memorial Sloan-Kettering Cancer Center
,
Weill Cornell Medical College
,
S. J. Brickner Consulting
,
Johns Hopkins Hospital
,
Rockefeller University
)
presentation
·
9 years ago
JChem for Excel: A better fit for my needs
by
Anna Gulyás-Forró
(
ChemAxon
)
publication
·
9 years ago
Novel Steroid Inhibitors of Glucose 6-Phosphate Dehydrogenase
by
Niall M. Hamilton
,
Martin Dawson
,
Emma E. Fairweather
,
Nicola S. Hamilton
,
James R. Hitchin
,
Dominic I. James
,
Stuart D. Jones
,
Allan M. Jordan
,
Amanda J. Lyons
,
Helen F. Small
,
Graeme J. Thomson
,
Ian D. Waddell
,
Donald J. Ogilvie
(
Paterson Institute for Cancer Research
)
presentation
·
9 years ago
Discovery in a Box: Integrated Suite of Applications Supporting the Discovery Process
by
Yvonne Shimshock
(
DeltaSoft
)
Partner
presentation
·
9 years ago
Compound registration using JChem for Excel
by
Chip Allee
(
CeuticalSoft
)
Partner
presentation
·
9 years ago
Helium: Easily Making Disparate, Cross-Source Data Available To ChemAxon Software
by
James Pearson
(
Ceiba
)
Partner
webinar
·
9 years ago
Demonstration of JChem for Excel and Reactor
by
David Deng
(
ChemAxon
)
publication
·
9 years ago
Solid-phase synthesis and chemical space analysis of a 190-membered alkaloid/terpenoid-like library
by
Gustavo Moura-Letts
,
Christine M. DiBlasi
,
Renato A. Bauer
,
Derek S. Tan
(
Memorial Sloan-Kettering Cancer Center
)
publication
·
9 years ago
Toward Global Metabolomics Analysis with Hydrophilic Interaction Liquid ChromatographyMass Spectrometry: Improved Metabolite Identification by Retention Time Prediction
by
Darren J. Creek
,
Andris Jankevics
,
Rainer Breitling
,
David G. Watson
,
Michael P. Barrett
,
Karl E. V. Burgess
(
University of Glasgow
,
University of Melbourne
,
University of Groningen
,
University of Strathclyde
)
publication
·
9 years ago
Predicting the Metabolic Pathways of Small Molecules Based on Their Physicochemical Properties
by
Chun-Rong Peng
,
Wen-Cong Lu
,
Bing Niu
,
Min-Jie Li
,
Xiao-YanYang
,
Mi-Lin Wu
(
Shanghai University
)
webinar
·
9 years ago
Demonstration of JChem for Excel and Reactor
by
David Deng
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