Time (UK/BST/UTC+1) | Title and Speaker |
10.00 | Welcome and Introduction to the Day Andreas Bender, Centre for Molecular Informatics, University of Cambridge and Clinical Pharmacology & Safety Sciences, Data Science & AI, AstraZeneca |
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| Session 1 |
10.10 | Improving Regulatory Acceptance of in Silico Predictions for Toxicity - Where We Are and Where We Could Go (pdf) Mark Cronin, Liverpool John Moores University |
10.35 | Predicting Efficacy and Toxicity of Immune Checkpoint Inhibitors Daniele Biasci, MRC Toxicology Unit, Cambridge University |
11.00 | Towards Improved Safety and Efficacy Profiles of Compounds by Predicting In Vivo Pharmacokinetics using Machine Learning (pdf) Olga Obrezanova, Clinical Pharmacology & Safety Sciences, Data Science & AI, AstraZeneca |
11.25 | Flash Poster Session 1 |
| Experiences of predicting acute toxicity in industry (poster pdf, slides pdf) Richard Marchese-Robinson, Syngenta |
| Chemical Representation Learning for Toxicity Prediction (pdf, recording) Jannis Born, ETH Zurich |
| Can we determine thresholds of developmental adversity in thyroid hormone signalling using mathematical modelling? Terence Allen, Liverpool John Moores University |
| Developmental Toxicity: A Difficult End-Point to Model Prashant Kharkar, ICT Mumbai |
| Developing Federated QSAR models for secondary pharmacology (pdf) Jeffrey Plante, Lhasa Ltd. |
| In Silico Models to Predict the Disturbance of Thyroid Hormone Homeostasis (pdf) Marina Garcia de Lomana, BASF and Vienna University |
| Gene Co-expression analysis in Toxicogenomics (pdf) Danilo Basili, Centre for Molecular Informatics, University of Cambridge |
12.00 | Lunch Break |
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| Session 2 |
12.30 | How Drugs Interact with our Bugs Kiran Patil, MRC Toxicology Unit | |
12.55 | The Role of in Silico Toxicology to Meet the Challenge of Vertebrate-Free Safety assessments for Agrochemicals (pdf) Richard Currie/Sarah Whalley, Syngenta |
13.15 | The Role of Bioinformatics in Predicting Human Health Hazards for Agrochemicals (pdf) Richard Currie/Sarah Whalley, Syngenta |
13.45 | Evaluating New Approach Methodologies for Consumer-Based Risk Assessment: Challenges and Future Perspectives Alistair Middleton, Unilever SEAC |
14.10 | Linking Evidence With AOPs To Produce Integrated Approaches to Testing and Assessment (IATA): The Theory And The Practice (pdf) Alex Cayley, Lhasa Ltd. |
14.35 | Flash Poster Session 2 |
| Imputation of in vitro troxicity data (poster pdf, slides pdf) Moritz Walter, University of Sheffield |
| Damage and toxicity in our DNA: mapping abasic sites at base resolution (pdf) Sergio Martinez Cuesta, Cancer Research UK Cambridge Institute |
| In silico approaches in organ toxicity hazard assessment: current status and future needs (pdf) Arianna Bassan, Innovatune |
| Predicting adverse effects of compounds based on high content imaging of cells (pdf) Ola Spjuth, Uppsala University |
| A cheminformatics read-across workflow for UVCB with a constituent-based approach (pdf) Elena Fioravanzo, Toxnavigation |
| Toxicity data curation of approved drugs in ChEMBL (pdf) Fiona Hunter, European Bioinformatics Institute |
| Deriving parameters from cardiomyocyte calcium transient in human-induced pluripotent stem cell-derived cardiomyocytes and its a
(pdf) Hongbin Yang, Centre for Molecular Informatics, University of Cambridge |
15.10 | Tea Break |
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| Session 3 |
15.30 | The Use of Pre-Clinical Data Standardisation (pdf) Phil Drew, PDS Consultants |
15.55 | Identifying Potential Biomarkers of Drug-Induced Vascular Injury (DIVI) in Rats from Gene Expression and Histopathology Data Anika Liu, Centre for Molecular Informatics, University of Cambridge |
16.20 | Evaluating Chemical Safety Using High-Throughput Transcriptomics Imran Shah, Environmental Protection Agency (EPA) |
16.45 | Flash Poster Session 3 |
| OpenDMPK: an open source toolkit for prediction of Drug Metabolism and Pharmacokinetic Properties (pdf) Suman Sirimulla, University of Texas at El Paso |
| Grouping based on composition of mixture Mihir Date, Research Institute for Fragrance Materials |
| Structure-Based Predictions of CYP Selectivity, Reactivity, and Sites of Metabolism (pdf) Michael Drummond, Chemical Computing Group |
| Large-scale Prediction of Acute Toxicity using Multi-Task Deep Learning not presenting Sankalp Jain, NIH/NCATS |
| Using cellular morphological features to predict cytotoxicity- and proliferation-related in vitro endpoints Srijit Seal, Centre for Molecular Informatics, University of Cambridge |
| In silico methods for skin senstization, trends and future possibilities
Svava Osk Jonsdottir, insilTox |
| Machine Learning and AI for Predicting hERG Channel Inhibition in the Big Data Era not presenting Vishal Babu Siramshetty, NIH/NCATS |
17.30 | Summary and Conference Close |