ChemAxon - Software Solutions and Services for Chemistry & Biology

Total posters: 142

poster · 4 days ago

Deep metabolome annotation and the necessity of a thought experiment

by Pierre-Marie Allard, Jonathan Bisson, Alexandre Da Silva, Jean-Luc Wolfender, Olivier P. Thomas, Mehdi Beniddir, Grégory Genta-Jouve (Université Paris Descartes (Paris 5), University of Illinois at Chicago, Centre National pour la Recherche Scientifique (CNRS), University of Geneva, National University of Ireland Galway)

poster · 3 months ago

Chemical Intelligence That Makes Hidden Knowledge Effortlessly Reachable

by Gábor Imre, Ákos Tarcsay, Anna Tomin, Dóra Barna, József Dávid, Dávid Malatinszky (ChemAxon)

poster · 6 months ago

Compound Design Process - To A Better Start

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

poster · 7 months ago

Screening for pharmaceuticals and other emerging pollutants in sediments of major European estuaries

by Martin Krauss, Werner Brack, Liza-Marie Beckers, Riccardo Massei, Lena Schinkel, Jens Prothmann (Helmholtz Centre for Environmental Research, UFZ-Helmholtz Centre for Environmental Research)

poster · 7 months ago

The combination of sediment and Cladophora for the screening of cationic surfactants in freshwater river

by H.Byers, L-M. Krauskopf, M.Krauss, M. Schmitt-Jansen, W.Brack (Helmholtz Centre for Environmental Research, UFZ-Helmholtz Centre for Environmental Research, RWTH Aachen University, Aachen University, Goethe University)

poster · 7 months ago

Partitioning kinetics of polar organic contaminants to Oasis HLB® as a function of pH and ionic strength for optimisation of passive sampling and solid phase extraction approaches

by Yoonah Jeong, Kilian E.C. Smith, Andreas Schäffer (Korea Institute of Science and Technology, Aachen University)

poster · 7 months ago

LigQ: An open-access protein & ligand structural similarity based tool for the enrichment of Virtual Screening compound sets

by Leandro G. Radusky, Javier Luque, Xavier Barril, Marcelo A. Marti, Adrian G. Turjanski (University of Barcelona University of Barcelona, University of Buenos Aires University of Buenos Aires)

poster · 7 months ago

Sprouting out new ideas from knowledge ground

by Ákos Tarcsay, András Strácz, Anna Tomin (ChemAxon)

poster · 7 months ago

Chemicalize - cheminformatics in the cloud

by Árpád Figyelmesi (ChemAxon)

poster · 8 months ago

Japanese and Chinese Support for Chemicalize

by Daniel Bonniot de Ruisselet, Péter Kovács, Árpád Figyelmesi, Gábor Botka, János Kendi (ChemAxon)

poster · 8 months ago

Finding answers from chemical space extremely fast

by Gábor Imre, András Volford, Ákos Tarcsay (ChemAxon)

poster · 1 year ago

Enabling Computational Tools for Peptide-Based Drug Design using HELM

by Conor Scully, Robert Smith, Benjamin Tehan (Heptares Therapeutics)

poster · 1 year ago

Informatics Tools leveraging the open HELM standard for managing and exploring databases of chemically modified complex biomolecules

by Roland Knispel, Anna Tomin, Nikolett Mihala, Gábor Hornyák, Gábor Keresztes, Edvárd Büki, Gergely Sánta, Máté Csonka, Tamás Garics (ChemAxon)

poster · 1 year ago

The Web Wide Chemical Editor

by Eufrozina Hoffmann, János Fejérvári, Dóra Barna, Eszter Szabó

poster · 1 year ago

Escape from 'availability bias' in compound design

by Gábor Imre, Ákos Tarcsay, Iván Solt, András Strácz (ChemAxon)

poster · 1 year ago

Similarity implicated exploration of the fragment galaxy

by Gábor Imre, Ákos Tarcsay (ChemAxon)

poster · 2 years ago

Making the Most of Approximate Maximum Common Substructure Search

by Péter Kovács, Péter Englert (ChemAxon, Eötvös Loránd University)

poster · 3 years ago

Combinatorial Library Optimization Process In The European Lead Factory Project

by Tuomo Kalliokoski (Lead Discovery Center GmbH)

poster · 3 years ago

Markush Technology Breakthroughs

by Péter Kovács, Árpád Figyelmesi, Gábor Botka, János Kendi (ChemAxon)

Markush

poster · 3 years ago

Chemical Patent Curation and Management - new tools and capabilities

by Daniel Bonniot de Ruisselet, Árpád Figyelmesi (ChemAxon)

chemcurator chemical patent curation

poster · 3 years ago

Bridging chem- and bioinformatics with Biomolecule Toolkit, a cheminformatics solution for Biologics

by Krisztián Niesz, Roland Knispel (ChemAxon)

Biomolecule Toolkit

poster · 4 years ago

Solving Real Time Collaboration with Marvin Live

by Iván Solt, András Strácz, Krisztián Niesz (ChemAxon)

Marvin Live

poster · 4 years ago

CzeekD: A fragment--based de novo drug design system for drug discovery

by Edmund Taylo (Kyoto Constella Technologies)

poster · 4 years ago

Plexus - Design & Discovery

by Iván Solt, András Strácz, Krisztián Niesz (ChemAxon)

poster · 4 years ago

Chemical Patent Curation and Management - new tools and capabilities

by Krisztián Niesz, Árpád Figyelmesi (ChemAxon)

poster · 4 years ago

Compliance Checker: A simple compliance tool that helps you stay on the safe side

by Masami Fujiki, Krisztián Niesz (ChemAxon, Patcore)

poster · 4 years ago

Analysis of the NCI60 drug toxicity patterns using ChemAxon's 3D alignment tool

by Miklós Szabó, Anna Lovrics, Csaba Magyar, Gergely Szakács (ChemAxon, Hungarian Academy of Sciences)

poster · 4 years ago

ChemAxon toolkits: Invisible contribution but visible success

by Michael P. Mazanetz, Inaki Morao (Evotec)

poster · 4 years ago

SureChEMBL: Open Patent Chemistry Data

by Mark Davies, George Papadatos, Anna Gaulton, Anne Hersey, John P. Overington (EMBL-EBI)

poster · 4 years ago

Novel steroid receptor modulators identified by high-throughput profiling with panel of reporter cell lines

by David Sedlák, Ctibor Škuta, Daniel Svozil, Petr Bartůněk (Institute of Molecular Genetics AS CR, CZ-Openscreen)

poster · 5 years ago

Mycobacterium tuberculosis Type-II NADH dehydrogenase (NDH-2) Catalytic Mechanism and Mode of Action of NDH-2 Inhibitors

by Takahiro Yano, Miriam Rahimian, Kawalpreet K. Aneja, Norman Schechter, Charles P. Scott, Harvey Rubin (University of Pennsylvania)

poster · 5 years ago

Open Innovation Drug Discovery Program

(Eli Lilly and Co.)

poster · 5 years ago

Crowdsourcing New Chemical Entities: Development of a Submission Interface to Assess Relevance for Open Innovation Projects

by Iván Solt, András Strácz, Gábor Guta, Aurora Costache (ChemAxon)

poster · 5 years ago

Clustering of Small Molecules Based on Similarity Scores From Flexible 3D Alignment

by Adrián Kalászi, Gábor Imre, Tímea Polgár, Krisztián Niesz, Miklós Szabó (ChemAxon)

poster · 5 years ago

Prediction of distribution of microspecies as function of the pH and its application for modeling of gallium complexing behaviour

by József Szegezdi, Ferenc Csizmadia, Alexander Fedin (ChemAxon, ISIC Westa)

poster · 5 years ago

Chemicalize.org: A uniquely user-selected PubChem source of structures extracted from text

by Daniel Bonniot de Ruisselet, Ferenc Csizmadia, András Strácz, Christopher Southan (ChemAxon, TW2Informatics)

poster · 5 years ago

From Famine To Feast: The Patent Chemistry ‘Big Bang' In Pubchem

by Nicholas Goncharoff, Andrew Hinton, Christopher Southan (SureChem, TW2Informatics)

poster · 5 years ago

Chemical library design: Conception and development of a web-based application

by Bernd Rupp, Martyna Pawletta, Raed Al-Yamori, Michael Lisurek, Ronald Kühne (Leibniz-Institut für Molekulare Pharmakologie (FMP))

poster · 5 years ago

Name-to-Structure Converters One Is Not Enough!

by Plamen Petrov (AstraZeneca)

poster · 5 years ago

Chemicalize.org: A uniquely user-selected PubChem source of structures extracted from text

by Daniel Bonniot de Ruisselet, Ferenc Csizmadia, András Strácz, Christopher Southan (ChemAxon, TW2Informatics)

poster · 5 years ago

Crowdsourcing New Chemical Entities: Development of a Submission Interface to Assess Relevance for Open Innovation Projects

by Iván Solt, András Strácz, Krisztián Niesz, Gábor Guta, Aurora Costache (ChemAxon)

poster · 5 years ago

Clustering of Small Molecules Based on Similarity Scores From Flexible 3D Alignment

by Adrián Kalászi, Gábor Imre, Tímea Polgár, Krisztián Niesz, Miklós Szabó (ChemAxon)

poster · 6 years ago

Clustering Using Flexible 3D Alignment Based Similarity

by Adrián Kalászi, Gábor Imre, Miklós Szabó (ChemAxon)

poster · 6 years ago

Supporting Open Innovation with Novel Software Solutions

by Alex Drijver, Krisztián Niesz (ChemAxon)

poster · 6 years ago

A Collaborative Web-based Architecture for Fragment-Based Drug Discovery Data

by Norah MacCuish, Barry Bunin, Michael Siani-Rose (Collaborative Drug Discovery, Mesa Analytics)

poster · 6 years ago

BindingDB: A Protein-Ligand Database for Drug Discovery

by Michael K. Gilson, George Nicola, Tiqing Liu, Linda Hwang (University of California San Diego, Skaggs School of Pharmacy and Pharmaceutical Sciences)

poster · 6 years ago

Chemical Biology Consortium Sweden

poster · 6 years ago

High-Throughput Screening for Identification of Inhibitors of the Bacterial Phosphatase YopH

by Mikael Elofsson, Per Anders Enquist, Jonas Eriksson, Anders Öhman, Christin Grundström, Elisabeth Sauer-Eriksson, Uwe Sauer (Umeå University)

poster · 6 years ago

QSAR Modeling of 5-HT1B, 5-HT1D and 5-HT1F Serotonin Receptor Ligands and Model-Based Parallel Virtual Screening for Novel Anti-Migraine Therapeutics

by Alexander Tropsha, Tiago L. Moda, Xiang S. Wang, Adriano D. Andricopulo (University of North Carolina at Chapel Hill, Universidade de São Paulo)

poster · 6 years ago

A machine learning pipeline for substructure detection in unknown mass spectra

by Tobias Kind, Oliver Fiehn (University of California Davis)

poster · 6 years ago

Intuitive Structure-Activity Analysis for Medicinal Chemists

by Jan Dreher, Martin Stahl, Daniel Stoffler (F. Hoffmann-La Roche AG)

poster · 6 years ago

GPCR fragment design: A case study of using drug discovery tools at mcule.com

by Márk Sándor, László Kovács, Róbert Kiss, György M. Keserű, Ferenc Szalai (Richter Gedeon, InFarmatik, MCULE)

poster · 6 years ago

ToxComp 1.2 - an Open Source iv vitro in vivo extrapolation (IVIVE) system for cardiotoxicity prediction with Marvin plugins embedded

by Sebastian Polak, Aleksander Mendyk, Barbara Wiśniowska, Anna Glinka, Kamil Fijorek, Miłosz Polak, Jakub Szlęk (Jagiellonian University, Cracow University of Economics)

poster · 6 years ago

A preliminary structure-flammability study of some polymers

by Simona Funar-Timofei, Takahiro Suzuki, Smaranda Iliescu (Toyo University, Institute of Chemistry of the Romanian Academy Timisoara)

poster · 6 years ago

Mapping physico-chemical property space for commercial pesticides and drugs

by Simona Funar-Timofei, Ana Borota, Sorin Avram, Daniela Ionescu (Victor Babes University of Medicine and Pharmacy Timisoara, Institute of Chemistry of the Romanian Academy Timisoara)

poster · 6 years ago

Proteax® - protein variants made easy

by Jan Holst Jensen (Biochemfusion)

poster · 6 years ago

Latest Developments in Markush Representation, Search, Analysis and Visualization

by Szabolcs Csepregi, Ferenc Csizmadia, Nóra Máté, Alex Allardyce, Róbert Wagner, Tamás Csizmazia, Ali Baharev, David Deng (ChemAxon)

poster · 7 years ago

Comparison of Ligand-Based and Structure-Based Virtual Screening on Selected DUD Datasets

by Andrelly Martins Jose, BF Domingues, RK Rocha, M Monteiro, VHO Munhoz, WS Magalhaes (NEQUIM - Chemoinformatics Group - Chemistry Department)

poster · 7 years ago

M-Screen: An Open-Source, Web-Based Application Package that Integrates Compound Management and High Throughput Screening Data Analysis

by Richard R. Neubig, Martha Larsen, Paul D. Kirchhoff, Renju Jacob (University of Michigan)

poster · 7 years ago

Handling of homology variation in structure representation, patent Markush search, enumeration and visualization

by Szabolcs Csepregi, Ferenc Csizmadia, Nóra Máté, Róbert Wagner, Tamás Csizmazia, Ali Baharev (ChemAxon)

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