Virtual Screening and Library Design
published: June 28, 2019, recorded: May 2019, views: 56
Report a problem or upload filesIf you have found a problem with this lecture or would like to send us extra material, articles, exercises, etc., please use our ticket system to describe your request and upload the data.
Enter your e-mail into the 'Cc' field, and we will keep you updated with your request's status.
Chemical space is estimated to contain ca 10^60 distinct small molecules; however in practice only tens of thousands (in more complex assays) to hundreds of millions (in DNA-encoded libraries) of compounds can be screened, which is many times smaller. Therefore, the selection of 'relevant' chemical space for choosing which compounds to test is crucial, comprising the topics of virtual screening and library design. In this contribution we will discuss both methods and practical applications of both topics.
Link this pageWould you like to put a link to this lecture on your homepage?
Go ahead! Copy the HTML snippet !