Cresset has released version 10.4 of Torch, a 3D molecule design tool for medicinal and synthetic chemists.
New functionality for multi-parameter optimisation (MPO) includes the option to condense many activity and physicochemical properties into a single weighted MPO score that represents the fit to the project profile. New visualisation, grouping, tagging and colour coding capabilities support and enhance SAR interpretation and decision making.
‘We have designed Torch to support medicinal chemists in their decision-making process,’ said Dr Tim Cheeseright, director of Products at Cresset. ‘The new features in V10.4 focus on giving the user the freedom to customise, organise and sort their compounds and data any way they want so that they can see at a glance how their compounds fit the overall project goals.’
The customisable tiles view, plots and histograms in Torch V10.4 support medicinal chemists in multi-parameter optimisation and decision making for compound design.