EXPLORING CHEMICAL SPACE FOR DRUG DISCOVERY Daniel Svozil Laboratory of Informatics and Chemistry. - ppt download
Unifying machine learning and quantum chemistry with a deep neural network for molecular wavefunctions.,Nature Communications - X-MOL
Nature Reviews Chemistry on Twitter: "How to explore chemical space using algorithms and automation https://t.co/67D8k5flJ6 A Perspective by @leecronin and co-workers from @UofGChem @UofGlasgow… https://t.co/EUJ96k2aeP"
Chemical space visualizations of scaffolds in the TCM data set analyzed... | Download Scientific Diagram
Nature Reviews Drug Discovery on Twitter: "DNA-encoded chemistry: enabling the deeper sampling of chemical space https://t.co/n50gFa5oa1… "
Imbalance in chemical space: How to facilitate the identification of protein-protein interaction inhibitors – topic of research paper in Chemical sciences. Download scholarly article PDF and read for free on CyberLeninka open
latent embeddings 2) GAN + RL" title="Andre Esteva, PhD on Twitter: "GAN-based RL discovers drug candidate for fibrosis in 21 days. Proves to be favorable in mice. 1) Encoder: chemical space -> latent embeddings 2) GAN + RL">
latent embeddings 2) GAN + RL" title="Andre Esteva, PhD on Twitter: "GAN-based RL discovers drug candidate for fibrosis in 21 days. Proves to be favorable in mice. 1) Encoder: chemical space -> latent embeddings 2) GAN + RL" />