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School of Chemoinformatics in Latin America
Mexico
เข้าร่วมเมื่อ 17 พ.ย. 2022
The conference brings together experts from seven countries to discuss
critical developments and applications and chemoinformatics, including chemical space, data analysis, natural products, virtual screening, toxicity prediction, and drug discovery for neglected diseases.
The conference will also include hands-on sessions, delivered by the developers, to use the ChEMBL database from the European Bioinformatics Institute, UK.
Lastly, editors of Chemoinformatics journals will discuss key points related to scientific publishing and will answer questions from the audience.
critical developments and applications and chemoinformatics, including chemical space, data analysis, natural products, virtual screening, toxicity prediction, and drug discovery for neglected diseases.
The conference will also include hands-on sessions, delivered by the developers, to use the ChEMBL database from the European Bioinformatics Institute, UK.
Lastly, editors of Chemoinformatics journals will discuss key points related to scientific publishing and will answer questions from the audience.
Methods and models for chemical toxicity prediction | Alexander Tropsha | 2022
Professor Tropsha holds appointments as an adjunct professor in the UNC Department of Biomedical Engineering and in the Department of Computer Science and is a member of the UNC Lineberger Comprehensive Cancer Center. Is an expert in the fields of computational chemistry, cheminformatics and structural bioinformatics who works to develop new methodologies and software tools for computer-assisted drug design. The major area of his research is Biomolecular Informatics, which implies understanding relationships between molecular structures and their properties. He has authored more than 190 peer-reviewed papers and 20 books and book chapters.
มุมมอง: 681
วีดีโอ
Integration then interrogation: Exploratory data analysis on a deadline | Rajarshi Guha | 2022
มุมมอง 158ปีที่แล้ว
Dr. Guha is an informatics scientist with over 15 years of experience in designing and implementing computational solutions, ranging from large scale infrastructures and algorithm design to predictive model development and project support for small molecule development projects. Dr. Guha's research area focuses on methodology development to analyze and visualize chemical biology data sets.
Cheminformatics-driven discovery of hits for neglected and emerging diseases | Carolina Horta | 2022
มุมมอง 139ปีที่แล้ว
Dr. Horta is an Associate Professor of Medicinal Chemistry at the Faculty of Pharmacy at Federal University of Goiás, Brazil, and head of LabMol - Laboratory for Molecular Modeling and Drug Design, since 2010. Her research focuses on Computer-Assisted and Artificial Intelligence-oriented Drug Design, aiming at discovering new drug candidates for Neglected and Emerging diseases. Her research als...
ChEMBL - accesing big molecular data via the web interface and API | Barbara Zdrazil & Fiona Hunter
มุมมอง 308ปีที่แล้ว
Barbara Zdrazil is currently employed as ChEMBL Coordinator at the European Bioinformatics Institute (EMBL-EBI) in Hinxton, Cambridge, UK. Prior to this role, Barbara was a Group Leader at the Department of Pharmaceutical Sciences, University of Vienna, Austria, and worked as a Safety Data Scientist for EMBL-EBI. Barbara contributed to many EU-funded projects (eTOX, OpenPHACTS, EU-ToxRisk). Bar...
Round table with editors | 2022
มุมมอง 48ปีที่แล้ว
Round table members: Dr. Karina Martinez Mayorga Dr. Rajarshi Guha Dr. José Luis Medina Franco Dr. Alexander Tropsha Dr. Matthias Rarey Dr. Barbara Zdrazil
Cheminformatics in natural product-based drug discovery | Johannes Kirchmair | 2022
มุมมอง 1.1Kปีที่แล้ว
Dr. Johannes Kirchmair is an associate professor in cheminformatics at the Department of Pharmaceutical Sciences of the University of Vienna and head of the Computational Drug Discovery and Design Group. The research area of Prof. Kirchmair involves the development and application of computational methods for the prediction of biological activities, metabolic fate and toxicity of small molecule...
Chemography concept in chemical space analysis | Alexandre Varnek | 2022
มุมมอง 412ปีที่แล้ว
Alexandre Varnek got his PhD in physical chemistry from the Moscow Institute of Inorganic and General Chemistry of the Russian Academy of Sciences. Since 1995, Professor Varnek has held the position of full professor in theoretical chemistry, head of the Laboratory of Chemoinformatics at the University of Strasbourg, France. He is coauthor of more than 250 research articles and book chapters in...
Very informative! Thank you.