Designer is the model building edition of Sarchitect.
The product vision is to enable building "best possible"
models. Building best models involves:
assessing the possibilities and limitations of data
extracting the right features for models
selecting the best suited algorithms and parameters
rigorous validation and quality testing
model packaging and deployment
and, most importantly the post-modeling activities that actually make the models more and more valuable,
monitoring the usage of models
continuously improving the models
Designer has the power and range of functions and algorithms that make it comprehensive. The only tool a modeler will need to build intuitive models starting with just chemical structures and experimental data.
Miner is the interface between the model builders
and the model users. Miner enables the use of models by
medicinal chemists to profile and optimize their compounds in silico, and
DMPK groups to rank compounds for prioritization in their studies
Designed for extremely easy-of-use, Miner allows model users to define "ideal profiles" and interactively design and/or optimize molecules. All model predictions are supported by interpretable confidence metrics, enabling users to use them in decision support.
Efficacy of in silico technologies to drug discovery is hinged on the adoption of the models by projects. Miner drives this adoption by making model usage simple, intuitive and highly interactive.