Physical model induction with QuanSA™: Affinity prediction that is synergistic with simulation-based methods
The QuanSA method To define a ‘pocket field’, an initial alignment of all training molecules is constructed and function parameters…
This article explores the psychological barriers and risks of cognitive biases to R&D decision-making. It contrasts current practice with the use of evidence-based medicine by healthcare practitioners. It touches on how computational tools, such as StarDrop‘s integrated suite of discovery software, can help support good decision making in drug discovery.
A. T. Chadwick and M. D. Segall, Drug Discovery Today, 2010, 15 (13/14), pp. 561-569.
DOI: 10.1016/j.drudis.2010.05.007
For more information on how to use computational tools to support good discovery decisions, explore our StarDrop webpage.
The QuanSA method To define a ‘pocket field’, an initial alignment of all training molecules is constructed and function parameters…
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