Chemical predictive modelling encompasses empirical computational methods based on observed patterns in data that guide the design of future compounds. Simple physicochemical property-based guidelines ...
Chemists and material scientists have often focused on the properties of previously reported compounds, but neglect numerous unreported but chemically plausible compounds that could have interesting ...
Compound libraries form a foundational element of modern drug discovery—the process of identifying new chemical or biological compounds that can become safe and effective medicines. Compound libraries ...
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