BAGIM is an active community of Boston area scientists bringing together people from diverse fields of modeling and informatics to impact life and health sciences. BAGIM strives to create a forum for great scientific discussions covering a wide range of topics including data management, visualization, computational chemistry, drug discovery, protein structure, molecular modeling, structure-based drug design, data mining, software tools, and the sharing of goals and experiences. Our community is made up of participants from academia, government, and industry whose goal is to engage in the discussion of science involving a synthesis of theory and technology. Discussions sponsored by BAGIM are targeted to the needs and interests of informatics scientists, computational chemists, medicinal chemists, and statisticians. BAGIM also provides opportunities for networking within these disciplines as well as an arena for the dissemination of information of specific interest to the membership.

Wednesday, September 14, 2016

BAGIM Event: Dr. Andy Maynard Sept. 26th Starting at 6pm at Vertex

Dr. Andy Maynard of Creode Analytics will present "Lead Optimization Dynamics"  on Monday, September 26th at 7 pm following refreshments at 6 pm on the 9th floor of the Vertex One building at 50  Northern Avenue, Boston.

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).


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.

Security procedures and sign-in at Vertex will be accelerated by having your full name.  Please add them to your RSVP or email me your full name at bagimcommunications@gmail.com Thank you! 

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