{"668760":{"#nid":"668760","#data":{"type":"event","title":"Chemistry Seminar - Prof. Kuangbiao Liao (Guangzhou National Laboratory)","body":[{"value":"\u003Cp\u003E\u003Cstrong\u003ETopic:\u0026nbsp;\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003EBuilding a reaction database using high-throughput technology: Enabling AI chemistry\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/strong\u003E\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u003Cstrong\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003EAbstract:\u0026nbsp;\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/strong\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003EChemists often fail to predict the outcome of an unseen reaction, recently chemists have shown great interest in developing data-driven AI models for reaction prediction. However, bias towards positive data, data inconsistency and lack of annotation are common problems that exist in both public and proprietary databases.\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003Cspan\u003E\u003Cspan\u003E \u003Cspan\u003E\u003Cspan\u003EHigh-Throughput Experimentation (HTE), a technology that uses robotics to rapidly perform many reactions in parallel, has shown great potential in building standardized databases.\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003EHere we present our progress in developing an ultra-HTE platform, constructing a proprietary reaction database and building AI-based reaction prediction models. Our ultra-HTE platform could set up and analyze over 8,000 reactions per day, and almost all common reactions are suitable. To build a standardized reaction database, we are currently using the platform to run reactions and collect data on a daily basis. With the data set in hand, we have developed AI-based models to successfully predict optimal conditions and reaction yields for several commonly used reactions as well as new reactions. Data collection and AI-based model development for more reactions is ongoing in our team.\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/p\u003E\r\n","summary":"","format":"limited_html"}],"field_subtitle":"","field_summary":[{"value":"\u003Cp\u003EA seminar on using high-throughput technology, enabling AI chemistry, in building a reaction base.\u003C\/p\u003E\r\n","format":"limited_html"}],"field_summary_sentence":[{"value":"School of Chemistry \u0026 Biochemistry -Seminar Series"}],"uid":"36441","created_gmt":"2023-08-07 14:34:35","changed_gmt":"2023-08-07 14:34:35","author":"slawrence67","boilerplate_text":"","field_publication":"","field_article_url":"","field_event_time":{"event_time_start":"2023-08-10T11:00:00-04:00","event_time_end":"2023-08-10T12:00:00-04:00","event_time_end_last":"2023-08-10T12:00:00-04:00","gmt_time_start":"2023-08-10 15:00:00","gmt_time_end":"2023-08-10 16:00:00","gmt_time_end_last":"2023-08-10 16:00:00","rrule":null,"timezone":"America\/New_York"},"location":"MoSE 3201A","extras":[],"related_links":[{"url":"https:\/\/gatech.zoom.us\/j\/99983886348","title":""}],"groups":[{"id":"85951","name":"School of Chemistry and Biochemistry"}],"categories":[],"keywords":[],"core_research_areas":[],"news_room_topics":[],"event_categories":[{"id":"1795","name":"Seminar\/Lecture\/Colloquium"}],"invited_audience":[{"id":"78761","name":"Faculty\/Staff"},{"id":"177814","name":"Postdoc"},{"id":"174045","name":"Graduate students"}],"affiliations":[],"classification":[],"areas_of_expertise":[],"news_and_recent_appearances":[],"phone":[],"contact":[{"value":"\u003Cp\u003E\u003Cstrong\u003EHost:\u003C\/strong\u003E Prof. Stefan France\u003C\/p\u003E\r\n","format":"limited_html"}],"email":[],"slides":[],"orientation":[],"userdata":""}}}