Join our webinar ‘Molecular Search in AI-Learned Chemical Similarity Space’, which will take place at 4 pm (CET) | 7 am (PST) on August 10th, 2023.
The speaker is Miroslav Lžičař, Research Scientist in Machine Learning in Chemical Informatics at MAMA AI.
Hosted by Dr. Yurii Moroz, CEO, Chemspace.
'CHEESE (Chemical Embeddings Search Engine) revolutionizes molecular search by integrating AI-driven techniques from Computer Vision and Natural Language Processing, enabling subsecond search on billion-scale enumerative databases including computationally heavy 3D shape and electrostatic similarity metrics.
Interesting questions arise from this approach:
1) What does it mean to represent molecules as vectors?
2) Is it possible to represent the similarity of molecules by their distance in the latent space?
3) Could shape or electrostatic similarity metrics yield higher relevancy in virtual screening settings?
4) How to significantly increase the search speed using artificial intelligence?
5) Do similar molecules have similar properties?
A web application implementing the technology is available publicly after signing up on [CHEESE]. For accompanying documentation look at [CHEESE-DOCS]'
