Poster presenters please note that the poster board format is 1m x 2m portrait orientation.
- Building Machine Learning Models Using Relevant Features Akos Tarcsay Chemaxon Kft Abstract
- Generate What You Can Make: De Novo Generation of In-House Synthesizable Drug Candidates Alan Kai Hassen Leiden University Abstract
- Benchmarking Molecular Fingerprints Alexander G. Hasson University of Oxford Abstract
- Evaluating Prediction of Stabilising Mutations in GPCRs Andrew Boardman University of Cambridge Abstract
- AlphaFold Meets Drug Design: A Novel Method for de novo Drug Discovery Andrius Bernatavicius Leiden University Abstract
- Identification of Promiscuous Scaffolds for Fragment-based Design Ann-Kathrin Prinz University of Münster Abstract
- Drug Representation and Scrambling Experiments Highlight Issues with Training and Evaluation of Drug-target Interaction Predictive Models Antonio de la Vega de León CITRE, Bristol Myers Squibb Abstract
- Machine Learning Prediction of Conformationally Averaged NMR Chemical Shifts Ben Honore University of Bristol Abstract
- Chemical Biology Resources at EMBL-EBI Barbara Zdrazil European Molecular Biology Laboratory’s European Bioinformatics Institute (EMBL-EBI) Abstract Poster
- Protein Structure-informed Molecular Fragment Replacement with InteractionDB Giulio Mattedi BenevolentAI Abstract
- REINVENT 4: A Modern AI Molecular Design Platform Hannes H Loeffler MolecularAI Abstract
- Evaluating Tautomer Standardization Rules using Tautobase Ingvar Lagerstedt NextMove Software Abstract Poster
- Exploiting Matched Molecular Pairs to Design New Cores Using CoreDesign® Jess Stacey MedChemica Ltd. Abstract
- Sketchy Sketches II: Advances in Extracting Reaction Information from Patents John Mayfield NextMove Software Abstract
- Development of QSAR Models for SBDD of GPCRs Jon D. Tyzack Sosei Heptares Abstract
- Machine Learning for Yield Prediction for Chemical Reactions Using in situ Sensors Joseph Davies University of Nottingham Abstract
- Calculating More Property Distributions of Chemical Fragment Spaces Justin Lübbers Universität Hamburg Abstract Poster
- Prioritizing the Best Molecules in Drug Discovery Morgan Morris Cresset Abstract
- Assay Descriptors for Improved Bioactivity Prediction Performance L. Schoenmaker Division of Drug Discovery and Safety Abstract Poster
- Development of Computational Tools for Protein-ligands Analysis Loïc Dreano University of Helsinki Abstract
- Predicting the Environmental Fate of Pharmaceuticals: A Database for Surface Waters Exposure and Degradation Properties Mael Briand University of Helsinki Abstract
- AI with Life: Machine Learning for Antibiotic Screening M. McKerlie University of Surrey Abstract Poster
- Analysis of Cancer Mutations Directed Towards Rational Design of Selective Inhibitors for RTKs M. Gorostiola González Leiden University Abstract
- LED3Score in De Novo Design of Synthetically Accessible Inhibitors of Monoglyceride Lipase Martin Šícho Leiden University Abstract Poster
- Open Source de novo Design and Free Energy Calculation Workflows Mat Bieniek University of Newcastle Abstract
- FSM’s of Chemical Nomenclature: Minimising State Machines from Chemical Grammars Michael Blakey NextMove Software Abstract
- Conditional Neural Processes for Molecules Miguel Garcia-Ortegon University of Cambridge Abstract
- MolScore: A Semi-automated Platform for Generative Model Molecule Scoring and Evaluation in Drug Design Morgan Thomas University of Cambridge Abstract
- Implicit Solvent Approach Based on Generalised Born and Transferable Graph Neural Networks for Molecular Dynamics Simulations Paul Katzberger ETH Zurich Abstract
- Evaluation of the Papyrus Dataset for Kinase Binding Affinity Prediction Rachael Skyner OMass Therapeutics Abstract
- The Application of AI-driven Drug Discovery Technology for Molecular Optimization of Nuclear Receptor Ligands Rafał A. Bachorz Simulations Plus, Inc. (NASDAQ: SLP) Abstract Poster
- Exploring Virtual Libraries using ElectroShape: Efficient ML-guided Descriptor Generation Richard I. Cooper Oxford Drug Design Abstract
- Sequence-based Identification of Functional Residues in Mycobacterium Tuberculosis DnaE1 and DnaE2 using Two-Entropy Analysis R.C.M Kuin Leiden Academic Centre for Drug Research (LACDR) Abstract
- 3D QSAR Model for Binding Affinity Prediction Shyamal K. Nath OpenEye Cadence Molecular Sciences Abstract
- Navigating the Orthosteric and Allosteric Structural GPCR Pocketome for Structure-Based Drug Discovery Sonja Peter Sosei Heptares Abstract
- BRADSHAW: A System for Automated Molecular Design – Application and Learnings Stephen Pickett GlaxoSmithKline Abstract
- Why Should I Put my Results into a Database? – Challenges, FAIR Practices and Modelling Thomas Allam University of Southampton Abstract
- Further Steps Towards Predicting Bioactivity by Traversing Knowledge Graphs Terence Egbelo University of Sheffield Abstract
- Combining Shape and Electrostatics in a Spectral Geometry-based 3D Molecular Descriptor James Middleton University of Sheffield Abstract
- Partial Matching Shape and Coloured-based Applied to Ligand-Based Virtual Screening Savíns Puertas Martín University of Sheffield Abstract
