Humbert G. Díaz, Prof.的动态

I want to share two recent papers that contribute to the development of new cheminformatic approaches for rapid assessment of data-poor chemicals. These are exciting works that help pull us forward on the implementation of rapid, systematic tools for in silico analysis. The first paper provides a proof of concept for preliminary identification of chemical structure group assignment using 86 groupings containing 2,184 substances as published on the European Chemicals Agency (ECHA) website: https://lnkd.in/d7xnAAi3 The second paper examines a large dataset of expert-driven read-across examples from REACH registration dossiers available in IUCLID6 to understand the degree of similarity between target-analogue pairs that have been used, providing additional benchmarks on expectations of systematic read-across using a neighborhood approach (as in GenRA): https://lnkd.in/dBc_f9DW

A thought-provoking study on #readacross in #reach from Katie Paul Friedman , Grace Patlewicz Patlewicz and Panagiotis Karamertzanis . While read-across validity is case-specific, this paper looks systematically at the use of read-across, comparing against objective criteria such as similarity parameters and derived effect levels. A useful benchmark for expectations! #nam #chemicalsafety #echa #saferchemicals

What’s the most festive chemical group? A hydroxyl group: -OH, -OH, -OH! See, chemistry can be funny too! Got a favourite science pun or festive joke? Share it with us ?????? and after you've done that, check out our dedicated advent webpage: https://lnkd.in/eBdXVFND #FestiveJokes #ToxicologyTrivia #ChemicalSafety #ScienceHumour

?? Call for the scientific community?? Would you like to contribute to #ChemicalSafety in the EU? #ECHA has identified key areas where more scientific research is needed and they need your expertise to address the knowledge gaps in the risk assessment of chemicals. ?? Read the updated report on key areas of regulatory challenge and learn how you can collaborate with the Agency for better chemical regulation. ??https://lnkd.in/djgUmBj2 Get inspired, get involved - #ECHAscience

?? Call for the scientific community?? Would you like to contribute to #ChemicalSafety in the EU? #ECHA has identified key areas where more scientific research is needed and they need your expertise to address the knowledge gaps in the risk assessment of chemicals. ?? Read the updated report on key areas of regulatory challenge and learn how you can collaborate with the Agency for better chemical regulation. ??https://lnkd.in/eDRckhcu Get inspired, get involved - #ECHAscience

?? Call for the scientific community?? Would you like to contribute to #ChemicalSafety in the EU? #ECHA has identified key areas where more scientific research is needed and they need your expertise to address the knowledge gaps in the risk assessment of chemicals. ?? Read the updated report on key areas of regulatory challenge and learn how you can collaborate with the Agency for better chemical regulation. ??https://lnkd.in/drKtUWhP Get inspired, get involved - #ECHAscience

?? Call for the scientific community?? Would you like to contribute to #ChemicalSafety in the EU? #ECHA has identified key areas where more scientific research is needed and they need your expertise to address the knowledge gaps in the risk assessment of chemicals. ?? Read the updated report on key areas of regulatory challenge and learn how you can collaborate with the Agency for better chemical regulation. ??https://lnkd.in/g8KKXtQQ Get inspired, get involved - #ECHAscience

?? Call for the scientific community?? Would you like to contribute to #ChemicalSafety in the EU? #ECHA has identified key areas where more scientific research is needed and they need your expertise to address the knowledge gaps in the risk assessment of chemicals. ?? Read the updated report on key areas of regulatory challenge and learn how you can collaborate with the Agency for better chemical regulation. ??https://lnkd.in/e9JbA8Wn Get inspired, get involved - #ECHAscience

Can API synthesis be more sustainable? ?? In our latest article, Emilia Leit?o dives into the potential of mechanochemistry and how it is revolutionizing chemical processes, offering significant environmental benefits. This innovative approach uses mechanical force to synthesize new molecules with minimal solvents or solventless conditions, reducing waste and energy use. ?? Curious? Read the article, “Comparison of Traditional and Mechanochemical Production Processes for Nine Active Pharmaceutical Ingredients (APIs),” published in the RSC Sustainability Journal by the Royal Society of Chemistry here: https://lnkd.in/dHT6ijax ? If you want to learn more about green chemistry and the sustainable alternatives we are adopting at Hovione, schedule your meeting here: https://lnkd.in/de2Q_eFr #RSCSustainability #greenchemistry #sustainablechemistry #APIsynthesis #mechanochemistry #drugsubstance #cdmo #initforlife

Carbon Minds at Society of Environmental Toxicology and Chemistry (SETAC) Europe annual meeting 2024 in Seville? Next week, Francesco Scalogna, our chemical process engineeer and Jonas Gossen, our data scientist for chemical Life Cycles?are heading to Seville for the SETAC Europe 34th Annual Meeting from May 5-9th! Under this year's theme, "Science-based Solutions in Times of Crisis: Integrating Science and Policy for Environmental Challenges," the conference will spotlight the need for innovative, science-based solutions to tackle our post-pandemic world's environmental challenges. ??At the conference, Francesco and Jonas will be presenting their posters on these exciting themes: ? Jonas will present "Solving LCI data gaps for fine chemicals by retrosynthesis for industrially relevant reactions," focusing on the use of retrosynthesis software to automate reaction pathway predictions. Overall, this approach facilitates access to secondary data and closes LCI data gaps in the Life Cycle Assessment of fine chemicals. ? Francesco will present our cm.chemicals database under the title "How highly specific LCA data can?inform purchasing decisions that?significantly reduce climate impacts?in the chemical value chain" ? This conference is a great opportunity to exchange ideas, foster new collaborations, and discuss sustainable solutions about the chemical value chain with experts from around the world. ?? We’re looking forward to meeting you and diving into some wonderful discussions. ? #SETACEurope2024 #Sustainability #EnvironmentalScience #Innovation #Networking