ChemAxon - Software Solutions and Services for Chemistry & Biology

Total posts by JChem for Office: 67

publication · 3 months ago

Characterization and risk assessment of seasonal and weather dynamics in organic pollutant mixtures from discharge of a separate sewer system.

by Martin Krauss, Tobias Schulze, Werner Brack, Wibke Busch, Liza-Marie Beckers (Helmholtz Centre for Environmental Research, Aachen University)

presentation · 3 months 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)

poster · 3 months ago

Compound Design Process - To A Better Start

by Gábor Imre, Ákos Tarcsay, Iván Solt, András Strácz, Anna Tomin, Aurora Costache (ChemAxon)

publication · 4 months ago

QSAR ligand dataset for modelling mutagenicity, genotoxicity, and rodent carcinogenicity

by Davy Guan, Kevin Fan, Ian Spence, Slade Matthews (University of Sydney)

publication · 4 months ago

Predicting acute contact toxicity of pesticides in honeybees (Apis mellifera) through a k-nearest neighbor model

by F. Como, E. Carnesecchi, S. Volani, J.L. Dorne, J. Richardson, A. Bassan, M. Pavan, E. Benfenati (IRCSS Istituto di Ricerche Farmacologiche Mario Negri, European Food Safety Authority)

publication · 4 months ago

Identification of Specific Inhibitors of Trypanosoma cruzi Malic Enzyme Isoforms by Target-Based HTS

by Americo T. Ranzani, Cristina Nowicki, Shane R. Wilkinson, Artur T. Cordeiro (Brazilian Center for Research in Energy and Materials, University of Campinas, University of Buenos Aires, Queen Mary University of London)

publication · 4 months 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

presentation · 5 months ago

JChem for Office goes online

by Ákos Papp (ChemAxon)

presentation · 5 months ago

ChemAxon Prodcut Portfolio

by Ákos Tarcsay (ChemAxon)

presentation · 6 months ago

JChem for Office Goes Online

by Ákos Papp (ChemAxon)

presentation · 6 months ago

User Experience with ChemAxon Software at GSK - Past, Present & Future

by Stephen Swanson (ChemAxon, GlaxoSmithKline)

presentation · 6 months ago

Software tools in the academic HTS workflow

by David Sedlák (Institute of Molecular Genomics)

presentation · 7 months ago

Cheminformatics Solutions Portfolio

by Ákos Tarcsay (ChemAxon)

webinar · 1 year ago

Reaxys and ChemAxon Webinar: How to Identify Known Activities of a Chemotype on Primary and Non-Primary Target Classes via SAR Analysis

(ChemAxon, Reaxys)

presentation · 1 year ago

Development of Compounds Targeting Resistant Cancer - Experiences with Plexus Connect in an Academic Setting

by Judit Sessler, Veronika Pape (Hungarian Academy of Sciences)

presentation · 1 year ago

JChem for Office

by Ákos Papp (ChemAxon)

presentation · 1 year ago

ChemAxon at Merck

by Elke Hofmann, Michael Hofmann (Merck)

presentation · 1 year ago

ChemAxon Portfolio Walk Through

by Ákos Tarcsay (ChemAxon)

presentation · 1 year ago

ChemAxon Portfolio Walk Through

by Aurora Costache (ChemAxon)

presentation · 1 year ago

D360 Express on ChemAxon technology

by David Lowis (Certara)

Partner

news · 1 year ago

ChemAxon European User Meeting, Budapest, May 9-11, 2017

by Wendy Warr (Wendy Warr & Associates)

meeting report

news · 2 years ago

ChemAxon European Annual Meeting (UGM), Budapest, May 24-26, 2016

by Wendy Warr (Wendy Warr & Associates)

meeting report

presentation · 2 years ago

ChemAxon and quattro research

by Cathrin Mayer (Quattro Research)

presentation · 2 years ago

JChem for Office

by Ákos Papp (ChemAxon)

presentation · 3 years ago

JChem for Office

by Ákos Papp (ChemAxon)

post · 3 years ago

Seamless chemical data management for small biotech

by Ákos Tarcsay (ChemAxon)

publication · 3 years ago

Computational analysis and ratiometric comparison approaches aimed to assist column selection in HILIC-MS/MS targeted metabolomics

by Ioannis Sampsonidis, Michael Witting, Wendelin Koch, Christina Virgiliou, Helen G. Gika, Philippe Schmitt-Kopplin, Georgios A. Theodoridis (Helmholtz Zentrum München, Technische Universität München, University of Glasgow, Aristotle University of Thessaloniki, German Center for Diabetes)

presentation · 3 years ago

Building a Symbiotic Informatics Platform to Support Drug Discovery

by Matthew Pustelnik (Global Blood Therapeutics)

news · 3 years ago

ChemAxon EU User Group Meeting, May 19-20, Budapest

by Yvonne Martin (Martin Consulting)

meeting report

release · 3 years ago

JChem for Office 15.6.29

release · 3 years ago

JChem for Office 15.6.8

presentation · 3 years ago

JChem for Office

by Ákos Papp (ChemAxon)

presentation · 3 years ago

D360: A Scientific Data Access, Analysis and Collaboration Software

by Alexander Steudle (Certara)

Partner

presentation · 3 years ago

Macromolecules in microseconds

by Jan Holst Jensen (Biochemfusion)

Partner

presentation · 3 years ago

Linguamatics I2E: Providing Context to Chemistry

by Andrew Hinton (Linguamatics)

Partner

release · 3 years ago

JChem for Office 15.5.4

release · 3 years ago

JChem for Office 15.3.30

release · 3 years ago

JChem for Office 15.2.9

release · 3 years ago

JChem for Office 14.12.8

release · 4 years ago

JChem for Office 14.10.6

release · 4 years ago

JChem for Office 14.9.22

presentation · 4 years ago

Linguamatics Overview

by Susan LeBeau (Linguamatics)

Partner

presentation · 4 years ago

D360 Self-Service Data Access and Integration Benefits

by David Lowis (Certara)

Partner

post · 4 years ago

From spreadsheets to live collaboration - Chemistry in Office documents and SharePoint

by Iván Solt (ChemAxon)

JChem for Office JChem for Sharepoint

webinar · 4 years ago

From spreadsheets to live collaboration - Chemistry in Office documents and SharePoint

by Iván Solt

release · 4 years ago

JChem for Office 14.7.21

presentation · 4 years ago

Development of the Chemalytics Platform for Drug Discovery

by Gerald Wyckoff (Chemalytics)

presentation · 4 years ago

Evolution of the ChemAxon product portfolio

by Petr Hamernik, András Strácz, Miklós Szabó, Aurora Costache, Doug Drake (ChemAxon)

news · 4 years ago

ChemAxon European User Group Meeting (UGM), Budapest, May 19-21, 2014

by Wendy Warr (Wendy Warr & Associates)

meeting report

presentation · 4 years ago

Chemical Text Mining With I2E

by Guy Singh (Linguamatics)

Partner

release · 4 years ago

JChem for Office 6.3

presentation · 4 years ago

Physicochemical property based scoring scheme for design of an aminerg GPCR targeted fragment library Fragment GPCR Score

by Ádám Andor Kelemen (Hungarian Academy of Sciences)

presentation · 4 years ago

Evolution of the ChemAxon product portfolio

by Petr Hamernik, Iván Solt, András Strácz, Miklós Szabó, Tim Aitken (ChemAxon)

release · 4 years ago

JChem for Office 6.2

publication · 4 years ago

Toxoflavins and Deazaflavins as the First Reported Selective Small Molecule Inhibitors of Tyrosyl-DNA Phosphodiesterase II

publication · 4 years ago

Fragment-Based Drug Discovery Using a Multidomain, Parallel MD-MM/PBSA Screening Protocol

by Kirk E. Hevener, Michael E. Johnson, Kavankumar Patel, Hyun Lee, Tian Zhu, Hao Lei, Christopher Jones (University of Illinois at Chicago)

publication · 4 years ago

Hit Identification and Optimization in Virtual Screening: Practical Recommendations Based on a Critical Literature Analysis

by Kirk E. Hevener, Michael E. Johnson, Shuyi Cao, Tian Zhu, Pin-Chih Su, Ram Patel, Darshan Shah, Heta B. Chokshi, Richard Szukala (University of Illinois at Chicago)

publication · 4 years ago

Synergistic Inhibitor Binding to the Papain-Like Protease of Human SARS Coronavirus: Mechanistic and Inhibitor Design Implications

by Kirk E. Hevener, Michael E. Johnson, Lena Truong, Kavankumar Patel, Hyun Lee, Shuyi Cao, Joseph L. Gatuz, Arun K. Ghosh (Purdue University, University of Illinois at Chicago)

fragments human SARS coronavirus inhibitors papain-like protease small molecules

publication · 4 years ago

Comparison of Combinatorial Clustering Methods on Pharmacological Data Sets Represented by Machine Learning-Selected Real Molecular Descriptors

by Oscar Miguel Rivera-Borroto, José Manuel García-de la Vega, Yovani Marrero- Ponce, Ricardo del Corazón Grau-Ábalo (Universidad Autónoma de Madrid, Central University of Las Villas)

publication · 4 years ago

Dunn's index for cluster tendency assessment of pharmacological datasets

by Oscar Miguel Rivera-Borroto, José Manuel García-de la Vega, Yovani Marrero- Ponce, Ricardo C. Grau-Ábalo, Mónica Rabassa-Gutiérrez (Universidad Autónoma de Madrid, Central University of Las Villas)

cluster analysis cluster tendency VAT techniques Dunn’s index pharmacological data sets clusters overlap classification accuracy

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