Small Molecular Designer - De novo New Drug

Generate new drug candidates from difference scoring index.

De novo New Drug

De novo, designing a new drug for druggable target was almost impossible in the past.

Generative Adversarial Network (GAN) of Artificial Intelligence technology is a kind of deep learning algorithm for generating a new object. It can use generator and discriminator to learn features from large datasets and generates a new target from index or conditions.

Graphen Drugomics generates the most suitable drug structure from our drug generator. With advanced AI technology, we don’t select the candidates by scoring model by model. We use different combined models to create objective indexes such as affinity, ADME, Solubility and more. We generate new structures from optimized objective indexes. By this way, we can find the most suitable new drugs with specific druggable target. Currently, we are creating compounds of tens of protein kinases drugs.

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