Chemistry42: An AI-based platform for de novo molecular design

no code implementations • 22 Jan 2021 • Yan A. Ivanenkov, Alex Zhebrak, Dmitry Bezrukov, Bogdan Zagribelnyy, Vladimir Aladinskiy, Daniil Polykovskiy, Evgeny Putin, Petrina Kamya, Alexander Aliper, Alex Zhavoronkov

Chemistry42 is a software platform for de novo small molecule design that integrates Artificial Intelligence (AI) techniques with computational and medicinal chemistry methods.

Drug Discovery

Continuous Histogram Loss: Beyond Neural Similarity

no code implementations • 6 Apr 2020 • Artem Zholus, Evgeny Putin

Similarity learning has gained a lot of attention from researches in recent years and tons of successful approaches have been recently proposed.

Data Visualization Representation Learning