化学信息学简介.pdfVIP

1.1 This is where chemoinformatics comes in! Chemical Informatics Chemoinformatics Cheminformatics 1976, Bioinformatics (Bioinformatica), University of Utrecht, Netherlands 1978, Hogeweg et.al “The study of informatic processes in biotic systems” 1990s, Human Genome Project 1998, Chemoinformatics, Dr .Frank Brown 2003, Professor Johann Gasteiger, Handbook of Chemoinformatics SVP and CSO @Accelrys, Senior Vice President Chief Science Officer Education 1985 - 1987 Postdoc biophysics - University of California, San Francisco 1981 - 1985 Ph.D. Physical Organic Chemistry - University of Pittsburgh 2006 – Current SVP CSO - Accelrys 2002 – Courant Senior Fellow - Johnson Johnson 1997 – 2007 Senior Fellow - Johnson Johnson PRD 2000 – 2005 Senior Research Fellow - CADD and Chemoinformatics 1996 – 1997 VP Product Development - Oxford Molecular 1996 – 1997 Director - V.P 1994 – 1996 Senior Manager, Section Head - Chemoinformatics 1989 – 1994 Research Investigator II, Section Head - Glaxo Research Institute Discovery Studio Pipeline Pilot “The use of information technology and management has become a critical part of the drug discovery process. Chemoinformatics is the mixing of those information resources to transform data into information and information into knowledge for the intended purpose of making better decisions faster in the area of drug lead identification and organization.” -- Annu. Rep. Med. Chem . 1998, 33, 375-384 “Chemoinformatics is the use of informatics methods to solve chemical problems.” Johann Gasteiger and Thomas Engel, “Chemoinformatics - A textbook” “ ” “Chem(o)informatics is a generic term that encompasses