Lead optimization (LO) is a challenging team “sport”, involving a diverse team of scientists who strive to efficiently convert early chemical starting points into mature clinical assets. Traditionally, LO has been quantified in terms of static “compound quality” endpoints, without regard to quantifying the dynamical nature of the LO process. Here, we consider LO as a process that minimizes risk, defined in simple statistical terms, to holistically visualize the trajectories of drug discovery projects as a means to objectify LO progress and to define determinants of efficiency. In addition, LO convergence metrics are developed to facilitate comparison of project tractability (for project portfolios).
http://pubs.acs.org/doi/abs/
Vertex is a short 12 minute walk from South Station via Atlantic and Northern Avenues, or take the Silver Line bus from South Station to Court House Station and cross Northern Avenue. Parking is available in the Pilgrim Parking Fan Pier parking garage beneath the building for a flat $15 fee after 5pm. There is also street parking with coin meters and smart meters in the area.
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BAGIM is sponsored by Scilligence, OpenEye Scientific Software, Schrodinger, Chemical Computing Group, ARIAD Pharmaceuticals, Vertex Pharmaceuticals, the Cambridge Crystallographic Data Centre, Optibrium, Dassault Systemes, Dotmatics, LabAnswer, and ChemAxon
