Using Pipeline Pilot and Machine Learning Engines to Accelerate Drug Discovery

A set of user-friendly tools to accelerate small molecule drug discovery was created using BIOVIA Pipeline Pilot as an integration tool, machine learning engine and as an interface, Schrödinger’s Drug Discovery suite and MolSoft ICM Browser for visualization and sharing Structure Based Drug Discovery ideas and results of docking. Within minutes, chemists can obtain accurate docking results, predictions of reliable ADMET models, calculated physical properties, or all relevant conditionally color-coded biological data and conveniently visualize and analyze them. The set of tools is used for all our projects and has a proven track record of saving time and accelerating drug discovery efforts.

As early adopters of BIOVIA Generative Therapeutics Design Therapeutics Design (GTD), we are in the process of applying its functionalities to accelerate a challenging project, where we aim to optimize, potency, selectivity, metabolic stability, and oral exposure. 2022 BIOVIA Conference ​​​​​​​

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