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Total posts by Instant JChem: 228

publication · 7 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 · 7 years ago
Chemoinformatic tools for the hit discovery process
by Björn Windshügel (European ScreeningPort)
presentation · 7 years ago
French Academic Compound Library: the "Chimiothèque Nationale"
by Anh Kiet Tran Minh (Centre National pour la Recherche Scientifique (CNRS))
presentation · 7 years ago
Instant JChem - web vs desktop client
by Petr Hamernik (ChemAxon)
publication · 7 years ago
20 years of DNA-encoded chemical libraries
by Dario Neri, Markus Leimbacher, Luca Mannocci, Jörg Scheuermann, Moreno Wichert (ETH Zurich, Philochem)
publication · 7 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 · 7 years ago
Instant JChem Groovy Scripting: Part 2 - Extended Scripting
by Erin Bolstad
webinar · 7 years ago
Instant JChem Groovy Scripting: Part 1 - The Basics
by Erin Bolstad
webinar · 7 years ago
Instant JChem (IJC) Architecture: Part 2 - Discovery Informatics Framework
by Erin Bolstad
webinar · 7 years ago
Instant JChem (IJC) Architecture: Part 1 - Architecture and API Overview
by Erin Bolstad
webinar · 7 years ago
Introduction to Extending Instant JChem
by Filip Sedlák
publication · 7 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 · 7 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 · 7 years ago
JChem ChemAxon: This is Your Brain on Drug Design
by Greg Bates (Programmable Web)
poster · 7 years ago
Supporting Open Innovation with Novel Software Solutions
by Alex Drijver, Krisztián Niesz (ChemAxon)
presentation · 7 years ago
How Instant JChem is adding value to a Molecular Design Business
by James Mills (Sandexis)
publication · 7 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 · 7 years ago
3D-Quantitative structure-activity relationship and docking studies of the tachykinin NK3 receptor
by Werner J. Geldenhuys, Mark A. Simmons (Northeast Ohio Medical University)
publication · 7 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 · 7 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 · 7 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 · 7 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 · 7 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 · 7 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 · 7 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 · 7 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 · 7 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 · 7 years ago
Patent Analytics for Drug Discovery via Instant JChem
by Dana Vanderwall (Bristol-Myers Squibb)
presentation · 7 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 · 7 years ago
Introducing ChemAxon Informatics Services
by Tim Dudgeon (ChemAxon)
presentation · 7 years ago
Instant JChem as a platform - Extending and customizing through scripting
by Erin Bolstad (ChemAxon)
presentation · 7 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 · 7 years ago
Instant JChem; becoming a belle of the enterprise ball
by Petr Hamernik (ChemAxon)
presentation · 7 years ago
Chemistry Infrastructure Migration in Global Pharmaceutical Company: Concerns and Reality
by Zhenbin Li (Boehringer Ingelheim)
presentation · 7 years ago
Migrating away from ISIS with ChemAxon's help
by Debra Kassabian (Novartis)
tutorial · 7 years ago
Merge function in Instant JChem
tutorial · 7 years ago
Map function in Instant JChem
publication · 7 years ago
Future-proofing Cheminformatics Platforms
by Ian Berry, ChemAxon team, Becci Ruyts (ChemAxon, Evotec, The Dow Chemical Company)
webinar · 8 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 · 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)
presentation · 8 years ago
Instant JChem as a platform
by Tim Dudgeon, Erin Bolstad (ChemAxon)
presentation · 8 years ago
Delivering Instant JChem to the Masses - A User Perspective
by Stephen Swanson (GlaxoSmithKline)
presentation · 8 years ago
Integrating Instant JChem in the Discovering Organization of a Biopharmaceutical Startup
by Thomas Boesen (Epitherapeutics)
presentation · 8 years ago
Instant JChem - becoming a belle of the enterprise ball
by Petr Hamernik (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 David Deng (ChemAxon)
presentation · 8 years ago
Moving away from ISIS software with ChemAxon's help
by Anna Pelliccioli (Novartis Institutes for Biomedical Research)
webinar · 8 years ago
Speeding and refining chemical search, analysis and visualization with Instant JChem and Spotfire
by Krisztián Niesz, Ben McGraw
news · 8 years ago
The Utility of Cloud Computing
by Kevin Davies (BioIT World.com)
publication · 8 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 · 8 years ago
Deploying Global Informatics on the cloud
by Ashley George, David Deng (ChemAxon, GlaxoSmithKline)
tutorial · 8 years ago
Instant JChem working on Amazon EC2 Cloud
by Tim Dudgeon (ChemAxon)
publication · 8 years ago
Instant JChem software review
by Tobias Kind (University of California Davis)
publication · 8 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 · 8 years ago
GSK's Helium Rises to the Top
by Alissa Poh (BioIT World.com)
publication · 8 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 · 8 years ago
Deploying Instant JChem on an Enterprise Scale
by Brett Hiemenz (GlaxoSmithKline)
presentation · 8 years ago
Instant JChem - more ways to see your data
by Tim Dudgeon (ChemAxon)
presentation · 8 years ago
Centralizing data for drug discovery in a multi-group academic setting with ChemAxon
by Erin Bolstad (University of Montana)
tutorial · 8 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 · 8 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)