ppt课件-the basic technology research programme（研究项目的基本技术）.pptVIP

A new paradigm for virtual screening A Research Council’s Basic Technology Research Programme Background Cross research council endeavour administered by EPSRC Funding for research to create a new technology Change the way we do science Underpin the future industrial base Atom based modellingQSAR QSPR Almost all modelling techniques are based on atomistic descriptions of molecules Although these techniques have been successful over several decades, they have disadvantages poor scaling characteristics lack of a solid physical justification, e.g. scoring functions interpretation difficult due