Aug 30, 2021 · In this work, we present a novel tool for de novo drug design called LibINVENT. It is capable of rapidly proposing chemical libraries of ...
Apr 26, 2021 · In this work, we present a novel tool for de novo drug design called Lib-INVENT. This is capable of rapidly proposing chemical libraries of ...
In this work, we present a novel tool for de novo drug design called LibINVENT. This is capable of rapidly proposing chemical libraries of compounds sharing the ...
Due to the strong relationship between desired molecular activity to its structural core, screening of focused, core sharing chemical libraries is a key step in ...
In this work, we present a novel tool for de novo drug design called Lib-INVENT. This is capable of rapidly proposing chemical libraries of compounds sharing ...
Mar 11, 2023 · This repository holds the code used in the publication Lib-INVENT: Reaction Based Generative Scaffold Decoration for in silico Library Design.
In this work, we present a novel tool for de novo drug design called Lib-INVENT. This is capable of rapidly proposing chemical libraries of compounds sharing t…
Reaction-based Generative Scaffold Decoration for <i>in Silico</i ... - OUCI
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LibINVENT: Reaction-based Generative Scaffold Decoration for <i>in Silico</i> Library Design ... Authors: Vendy Fialková; Jiaxi Zhao; Kostas Papadopoulos; Ola ...
Mar 11, 2023 · ... Lib-INVENT project (Lib-INVENT: Reaction Based Generative Scaffold Decoration for in silico Library Design). The code is organised in two ...
Sep 1, 2021 · From the Molecular AI group at AstraZeneca, "LibINVENT: Reaction-based Generative Scaffold Decoration for in Silico Library Design" • Paper: ...