MN-AM.com is attending the upcoming 19th National Congress of the Italian Society of Toxicology, SITOX 2020, in Bologna, Italy, from February 11-12, 2020. We cordially invite you to visit our booth at the exhibition. We will demonstrate our suite of software tools and applications in the area of computational toxicology, safety and risk assessment and read-across. We are available to answer any questions regarding our technology and will be glad to help you finding the right solution for your challenges.
In addition, we will held a pre-congress training course on “Linking In Silico Methods to Navigation of Chemical Safety / Risk Assessment” in the congress hotel (Sala Falco) on Monday, February 10, from 11:00am – 6:30pm. Furthermore, there will be a session and poster presentations related to our technology at the SITOX 2020 Congress.
Please find below a complete list of our contibutions at the SITOX 2020. We are looking forward to meeting you in Bologna.
Pre-Congress Training Course
Linking In Silico Methods to Navigation of Chemical Safety/Risk Assessment
| Moderator Corrado Lodovico Galli (University of Milan) Place Sala Falco Time Monday, February 10, 2020, 11.30am-6.30pm |
| Speakers Marina Marinovich (University of Milan) Elena Fioravanzo (ToxNavigation) Mark Cronin (Liverpool John Moores University) Chihae Yang (MN-AM) |
| Topics All probe molecules |
| Part 1 – Structure Representation Part 1 – training material Part 1 – probe molecule 1 Part 1 – probe molecules 2 Scientific problem statement: structure representation for knowledge and chemical safety Technical/Chemoinformatics solution – How chemical structures are represented and stored by computers (SD and MOL files, SMILES, InChI) – Structure-based descriptors: fingerprints (ToxPrints, MACCS keys, RDKIT fingerprints, etc.) – How to handle UVCBs |
| Part 2 – DB Searching & Calculation Part 2 – training material Part 2 – probe molecules 1 Part 2 – probe molecule 2 Scientific problem statement: similar structures vs. analogues Technical/Chemoinformatics solution – Calculation of fingerprints, molecular descriptors and physicochemical properties – Methods for quantitatively evaluating the similarity between chemical compounds – Structure-based similarity, physicochemical property-based similarity, biological similarity |
| Part 3 – Case Study Part 3 – training material Part 3 – probe molecules 4 Part 3 – Read-Across Summary Table Scientific problem statement: description of cases, both common and difficult Technical/Chemoinformatics solution – (Quantitative) Structure-Activity Relationships: QSAR and Structural rules/alerts – Read-Across approach – Threshold of Toxicological Concern (TTC) |
Session
Leveraging Existing Toxicity Data and Chemoinformatics to Strengthen Chemical Safety Assessment
| Moderators Ivano Eberini (Milano), Corrado Lodovico Galli (Milano) Place Sala Asinelli Time Tuesday, February 11, 2020, 2-4pm |
| 2.00-2.30pm Andrew Worth (JRC): Computational modelling for sustainable chemicals management |
| 2.30-3.00pm Carla Landolfi (ACRAF): In silico toxicity predictions for data-poor chemicals. Applications in the pharmaceutical area |
| 3.00-4.30pm Chihae Yang (MN-AM): Chemoinformatics approaches for chemical safety assessment: Genotoxic impurities of EFSA pesticides |
| 3.30-4.00pm oral communications |
Poster Presentations
- Processo automatico per identificare le impurezze del farmaco potenzialmente mutagene tramite metodi computazionali come descritto nelle esistenti linea guida dell’agenzia europea del farmaco” (“Automatic process to identify potentially mutagenic drug impurities using computational methods as described in the existing guidelines of the European Medicines Agency”)
Presented by Elena Fioravanzo
Session on alimenti, biotrasformazione xenobiotici, botanicals, integratori alimentari, farmaci
Tuesday, February 11, 2020, 1-2pm - ChemTunes·ToxGPS®, an In Silico Platform Facilitating Robust and Reproducible Read-Across Studies Utilizing Chemoinformatics and Safety Assessment Methods
Presented by Elena Fioravanzo
Session on cosmetici, pestcidi, tossicologia clinica e analitica, tossine naturali
Wednesday, February 12, 2020, 1-2pm
Further information is available at the Congress pages and will be posted on this page as soon as available. We are looking forward to meeting you in Bologna.