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Total posts by Instant JChem: 228
publication
·
8 years ago
Exploring the multifunctionality of thioflavin- and deferiprone-based molecules as acetylcholinesterase inhibitors for potential
by
Cristina Rodríguez-Rodríguez
,
Maria A. Telpoukhovskaia
,
Brian O. Patrick
,
Chris Orvig
(
University of British Columbia
)
webinar
·
8 years ago
Introduction to Extending Instant JChem -
Developer Training
by
Filip Sedlák
(
ChemAxon
)
webinar
·
8 years ago
Query features in ChemAxon's tools
by
Aurora Costache
(
ChemAxon
)
publication
·
8 years ago
Linear solvation energy relationships as classifiers in non-target analysis - A gas chromatographic approach
by
Werner Brack
,
Nadin Ulrich
,
Jana Mühlenberg
,
Heiko Retzbach
,
Gerrit Schüürmann
(
Helmholtz Centre for Environmental Research
,
Technical University Bergakademie Freiberg
)
presentation
·
8 years ago
Chemoinformatic tools for the hit discovery process
by
Björn Windshügel
(
European ScreeningPort
)
presentation
·
8 years ago
French Academic Compound Library: the "Chimiothèque Nationale"
by
Anh Kiet Tran Minh
(
Centre National pour la Recherche Scientifique (CNRS)
)
presentation
·
8 years ago
Instant JChem - web vs desktop client
by
Petr Hamernik
(
ChemAxon
)
publication
·
8 years ago
20 years of DNA-encoded chemical libraries
by
Dario Neri
,
Markus Leimbacher
,
Luca Mannocci
,
Jörg Scheuermann
,
Moreno Wichert
(
ETH Zurich
,
Philochem
)
publication
·
8 years ago
Using a Fragment-Based Approach To Target Protein- Protein Interactions
by
Duncan E. Scott
,
Matthias T. Ehebauer
,
Tara Pukala
,
May Marsh
,
Tom L. Blundell
,
Ashok R. Venkitaraman
,
Chris Abell
,
Marko Hyvonen
(
University of Cambridge
,
University of Adelaide
)
webinar
·
8 years ago
Instant JChem Groovy Scripting: Part 1 - The Basics
by
Erin Bolstad
webinar
·
8 years ago
Introduction to Extending Instant JChem
by
Filip Sedlák
publication
·
8 years ago
General Purpose Electronegativity Relaxation Charge Models Applied to CoMFA and CoMSIA Study of GSK-3 Inhibitors
by
Alexander A. Oliferenko
,
Daria A. Tsareva
,
Dmitry I. Osolodkin
,
Dmitry A. Shulga
,
Sergey A. Pisare
,
Vladimir A. Palyulin
,
Nikolay S. Zefirov
(
Russian Academy of Sciences
,
Moscow State University
)
publication
·
8 years ago
Discovery of Small-Molecule Interleukin-2 Inhibitors from a DNA-Encoded Chemical Library
by
Gisbert Schneider
,
Michael Stravs
,
Tim Geppert
,
Dario Neri
,
Markus Leimbacher
,
Yixin Zhang
,
Luca Mannocci
,
Jörg Scheuermann
(
Institute of Pharmaceutical Sciences
,
Philochem
)
news
·
8 years ago
JChem ChemAxon: This is Your Brain on Drug Design
by
Greg Bates
(
Programmable Web
)
poster
·
8 years ago
Supporting Open Innovation with Novel Software Solutions
by
Alex Drijver
,
Krisztián Niesz
(
ChemAxon
)
presentation
·
8 years ago
How Instant JChem is adding value to a Molecular Design Business
by
James Mills
(
Sandexis
)
publication
·
8 years ago
Similarity Analysis, Synthesis, and Bioassay of Antibacterial Cyclic Peptidomimetics
by
Alan R. Katritzky
,
Workalemahu M. Berhanu
,
Mohamed A. Ibrahim
,
Girinath G. Pillai
,
Alexander A. Oliferenko
,
Levan Khelashvili
,
Farukh Jabeen
,
Bushra Mirza
,
Farzana Latif Ansari
,
Ihsan-ul-Haq
,
Said A el-Feky
(
University of Florida
,
Zagazig University
,
Misr University for Science and Technology
,
Quaid i Azam University
,
King Abdulaziz University
)
publication
·
8 years ago
3D-Quantitative structure-activity relationship and docking studies of the tachykinin NK
3
receptor
by
Werner J. Geldenhuys
,
Mark A. Simmons
(
Northeast Ohio Medical University
)
publication
·
8 years ago
Drug-like Properties: Guiding Principles for the Design of Natural Product Libraries
by
David Camp
,
Rohan A. Davis
,
Marc Campitelli
,
James Ebdon
,
Ronald J. Quinn
(
Griffith University
)
presentation
·
8 years ago
Exploring and visualisation of chemistry in patents with Marvin and Instant JChem
by
Alexander Klenner
(
Fraunhofer Institute for Algorithms and Scientific Computing
)
publication
·
8 years ago
How Large Is the Metabolome? A Critical Analysis of Data Exchange Practices in Chemistry
by
Tobias Kind
,
Oliver Fiehn
,
Martin Scholz
(
University of California Davis
)
publication
·
8 years ago
Combined Approach Using Ligand Efficiency, Cross-Docking, and Antitarget Hits for Wild-Type and Drug-Resistant Y181C HIV-1 Reverse Transcriptase
by
Sulev Sild
,
Uko Maran
,
Alfonso T. García-Sosa
,
Kalev Takkis
(
University of Tartu
)
publication
·
8 years ago
Combining 2D and 3D in silico methods for rapid selection of potential PDE5 inhibitors from multimillion compounds' repositories: biological evaluation
by
György Dormán
,
Tünde Tömöri
,
István Hajdú
,
László Barna
,
Zsolt Lőrincz
,
Sándor Cseh
(
TargetEx
,
Hungarian Academy of Sciences
)
publication
·
8 years ago
Applying
in-silico
retention index and mass spectra matching for identification of unknown metabolites in accurate mass GC-TOF mass spectrometry
by
Tobias Kind
,
Oliver Fiehn
,
Sangeeta Kumari
,
Doug Stevens
,
Carsten Denkert
(
University of California Davis
,
Waters Corp.
,
Charite University Clinics
)
publication
·
8 years ago
Design, Selection, and Characterization of Thioflavin-Based Intercalation Compounds with Metal Chelating Properties for Application in Alzheimer's Disease
by
Cristina Rodríguez-Rodríguez
,
Natalia Sánchez de Groot
,
Albert Rimola
,
Ángel Álvarez-Larena
,
Vega Lloveras
,
José Vidal-Gancedo
,
Salvador Ventura
,
Josep Vendrell
,
Mariona Sodupe
,
Pilar González-Duarte
(
Universitat Autònoma de Barcelona
)
publication
·
8 years ago
Software platform virtualization in chemistry research and university teaching
by
Tobias Kind
,
Oliver Fiehn
,
Tim Leamy
,
Julie A. Leary
(
University of California Davis
)
publication
·
8 years ago
Hardware and Software Challanges for the Newar Future: Structure Elucidation Concepts via Hyphenated Chromatographic Techniques
by
Tobias Kind
,
Michael P. Balogh
,
Oliver Fiehn
(
University of California Davis
)
presentation
·
8 years ago
Patent Analytics for Drug Discovery via Instant JChem
by
Dana Vanderwall
(
Bristol-Myers Squibb
)
presentation
·
8 years ago
Speeding and Refining Chemical Analysis and Visualization in Drug Discovery Processes: a Powerful Combination of Instant JChem and Spotfire
by
Krisztián Niesz
(
ChemAxon
)
presentation
·
8 years ago
Introducing ChemAxon Informatics Services
by
Tim Dudgeon
(
ChemAxon
)
presentation
·
8 years ago
Instant JChem as a platform - Extending and customizing through scripting
by
Erin Bolstad
(
ChemAxon
)
presentation
·
8 years ago
Demonstration of ChemAxon's Database Management Tools (JChem for Excel and Instant JChem) and virtual library design with Reactor
by
Iván Solt
(
ChemAxon
)
presentation
·
8 years ago
Instant JChem; becoming a belle of the enterprise ball
by
Petr Hamernik
(
ChemAxon
)
presentation
·
8 years ago
Chemistry Infrastructure Migration in Global Pharmaceutical Company: Concerns and Reality
by
Zhenbin Li
(
Boehringer Ingelheim
)
presentation
·
8 years ago
Migrating away from ISIS with ChemAxon's help
by
Debra Kassabian
(
Novartis
)
tutorial
·
9 years ago
Merge function in Instant JChem
tutorial
·
9 years ago
Map function in Instant JChem
publication
·
9 years ago
Future-proofing Cheminformatics Platforms
by
Ian Berry
,
ChemAxon team
,
Becci Ruyts
(
ChemAxon
,
Evotec
,
The Dow Chemical Company
)
webinar
·
9 years ago
Speeding and refining chemical search, analysis and visualization with Instant JChem and Spotfire
by
Alex Allardyce
,
Krisztián Niesz
,
Ben McGraw
(
ChemAxon
,
TIBCO-Spotfire
)
presentation
·
9 years ago
Exploring and Visualisation of Chemistry in patents with Marvin and Instant JChem
by
Alexander Klenner
(
Fraunhofer Institute for Algorithms and Scientific Computing
)
presentation
·
9 years ago
Instant JChem as a platform
by
Tim Dudgeon
,
Erin Bolstad
(
ChemAxon
)
presentation
·
9 years ago
Delivering Instant JChem to the Masses - A User Perspective
by
Stephen Swanson
(
GlaxoSmithKline
)
presentation
·
9 years ago
Integrating Instant JChem in the Discovering Organization of a Biopharmaceutical Startup
by
Thomas Boesen
(
Epitherapeutics
)
presentation
·
9 years ago
Instant JChem - becoming a belle of the enterprise ball
by
Petr Hamernik
(
ChemAxon
)
presentation
·
9 years ago
Demonstration of ChemAxon's Database Management Tools (JChem for Excel and Instant JChem) and virtual library design with Reactor
by
David Deng
(
ChemAxon
)
presentation
·
9 years ago
Moving away from ISIS software with ChemAxon's help
by
Anna Pelliccioli
(
Novartis Institutes for Biomedical Research
)
webinar
·
9 years ago
Speeding and refining chemical search, analysis and visualization with Instant JChem and Spotfire
by
Krisztián Niesz
,
Ben McGraw
news
·
9 years ago
The Utility of Cloud Computing
by
Kevin Davies
(
BioIT World.com
)
publication
·
9 years ago
Deconstruction of Non-Nucleoside Reverse Transcriptase Inhibitors of Human Immunodeficiency Virus Type 1 for Exploration of the Optimization Landscape of Fragments
by
Peter Brandt
,
Matthis Geitmann
,
U. Helena Danielson
(
Beactica
,
Uppsala University
)
presentation
·
9 years ago
Deploying Global Informatics on the cloud
by
Ashley George
,
David Deng
(
ChemAxon
,
GlaxoSmithKline
)
tutorial
·
9 years ago
Instant JChem working on Amazon EC2 Cloud
by
Tim Dudgeon
(
ChemAxon
)
publication
·
9 years ago
Instant JChem software review
by
Tobias Kind
(
University of California Davis
)
publication
·
9 years ago
Fast Three Dimensional Pharmacophore Virtual Screening of New Potent Non-Steroid Aromatase Inhibitors
by
Marco A. C. Neves
,
Teresa C. P. Dinis
,
Giorgio Colombo
,
M. Luisa Sá e Melo
(
Istituto di Chimica del Riconoscimento Molecolare
)
news
·
9 years ago
GSK's Helium Rises to the Top
by
Alissa Poh
(
BioIT World.com
)
publication
·
9 years ago
Sulfonamide Linked Neoglycoconjugates?A New Class of Inhibitors for Cancer-Associated Carbonic Anhydrases
by
Claudiu T. Supuran
,
Marie Lopez
,
Laurent F. Bornaghi
,
Alessio Innocenti
,
Daniela Vullo
,
Susan A. Charman
,
Sally-Ann Poulsen
(
Università degli Studi di Firenze
,
Griffith University
,
Monash University
)
presentation
·
9 years ago
Deploying Instant JChem on an Enterprise Scale
by
Brett Hiemenz
(
GlaxoSmithKline
)
presentation
·
9 years ago
Instant JChem - more ways to see your data
by
Tim Dudgeon
(
ChemAxon
)
presentation
·
9 years ago
Centralizing data for drug discovery in a multi-group academic setting with ChemAxon
by
Erin Bolstad
(
University of Montana
)
tutorial
·
9 years ago
Management and Search of Markush Structures from the Thomson Reuters Databases in Instant JChem
by
Tímea Polgár
,
Roland Meszter
,
Viktória Pálfi
(
ChemAxon
)
publication
·
9 years ago
Synthesis and chemical diversity analysis of bicyclo[3.3.1]non-3-en-2-ones
by
Jared T. Hammill
,
Aaron M. Virshup
,
David N. Beratan
,
Weitao Yang
,
Peter Wipf
,
Contreras-García Julia
(
University of Pittsburgh
)
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