Advanced Neural Screening.

Detailed Cheminformatic Screening and Filtering

• Detailed cheminformatic calculations are automatically computed for every novel molecule, providing users with a robust view of each molecule including numerous drug-likeness properties, AI-predicted biochemical interaction data, molecular dynamics simulations, and more.

• Our molecule visualization page provides a user-friendly table of all molecular metrics, AI predictions, retrosynthesis, and molecular dynamics results, allowing users to easily, sort, filter, and compare all drug candidates to find the perfect drug for your project.

In-Vitro Activity Probability Prediction

• Prior methods have demonstrated AI's impressive ability to accurately predict in-vitro drug interactions, so we designed our own improved, proprietary Neural Network to provide high-accuracy, binary prediction of the in-vitro activity of your drugs.

• This built-in feature outshines previous methods in every category. In comparison with current state-of-the-art AI drug screening software, our novel algorithm achieves:

  • More than 10% prediction improvement on the famous DUD-E virtual screening benchmark

  • Prediction speeds up to 100x faster

  • Drastically reduced computation costs, capable of running even on a single laptop

  • Internal learning of protein structure, allowing predictions to be made with only the target amino acid sequence

Binding Affinity Prediction

• In addition to the simple binary activity prediction mentioned above, LIME includes another built-in Binding affinity prediction software to directly predict the in-vitro binding affinity of your drugs, allowing users to quantify the strength of the drug's activity rather than only the probability of activity in general.