01 Software

XMolGen revolutionizes molecular generation with AI & big data

XMolgen combines AI and big data to accelerate molecular generation and virtual screening. Tapping the unexplored chemical space. For Real.
02
Overview

AI & Big Data Driven compound generation

XMolGen leverages AI and big data to generate compounds ready for virtual docking and FEP calculations. Explore new chemical spaces with synthesizable compounds from a commercial building block library.

The platform’s accurate in-silico predictions streamline molecular generation and screening, preparing top compounds for XFEP and precise FEP calculations.

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Key features
AI-Driven & Big data-based compound generation​
Combines advanced AI algorithms with extensive chemical libraries to create novel molecular designs.
Commercial building-block library
Access to an extensive collection of commercial building blocks for efficient molecular design.​
Synthesizability assessment​
Evaluates the feasibility of synthesizing new compounds to streamline the development process.​
Enhanced chemical space exploration​
Expands the range of chemical possibilities with increased efficiency and precision.​
In-silico prediction of drug-like properties
Provides predictions for drug-like properties, aiding in the selection of viable candidates.
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Applications

Molecular generation, Library generation & Virtual screening

ai molecular generation