Nature Reviews Chemistry on Twitter: "Our July issue is live! https://t.co/Y38VejnNn9 • Quantum-based ML to explore chemical space • The physics behind the periodic table • Biocatalytic C–C bond formation plus the
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
EXPLORING CHEMICAL SPACE FOR DRUG DISCOVERY Daniel Svozil Laboratory of Informatics and Chemistry. - ppt download
Chemical space - Wikipedia
Ultra-large virtual molecular libraries throw open chemical space
PDF) Probing Chemical Space with Alkaloid-Inspired Libraries
How to explore chemical space using algorithms and automation | Nature Reviews Chemistry
Navigating chemical space for biology and medicine | Nature
Figure 1: Human polypharmacology interaction network representing relationships between proteins in chemical space.
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"
Machine learning for chemical discovery | Nature Communications
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
Navigation in Chemical Space Towards Biological Activity
Chemical space | Nature
Figure 1 from Chemical Space of DNA-Encoded Libraries. | Semantic Scholar
Nature Reviews Drug Discovery on Twitter: "DNA-encoded chemistry: enabling the deeper sampling of chemical space https://t.co/n50gFa5oa1… "
Navigating chemical space for biology and medicine | Nature
PDF) The re-emergence of natural products for drug discovery in the genomics era | RuAngelie Edrada-Ebel and Alan Harvey - Academia.edu
Unifying machine learning and quantum chemistry with a deep neural network for molecular wavefunctions.,Nature Communications - X-MOL
Enumerating the DEL design chemical space | Nature Research Chemistry Community
EXPLORING CHEMICAL SPACE FOR DRUG DISCOVERY Daniel Svozil Laboratory of Informatics and Chemistry. - ppt download
Generative molecular design in low data regimes,Nature Machine Intelligence - X-MOL
Ultra-large library docking for discovering new chemotypes,Nature - X-MOL
ChemMaps talk at ACS New Orleans 2018
PDF) Navigating chemical space for biology and medicine
Full article: Extending accessible chemical space for the identification of novel leads
PDF) Bioactivity-guided mapping and navigation of chemical space
