Stephen D. Roughley
Computational Chemistry & Drug Discovery · 2011–2023
A researcher in the Science corpus: 3 papers; trusts 3 researchers and is trusted by 0 researchers here, as inferred from the citation graph.
Subfields
- Computational Chemistry & Drug Discovery — 13 citations into it
Whom Stephen D. Roughley trusts overall
Their strongest outbound trust, strongest first, inferred from their citations.
Papers from Stephen D. Roughley's perspective
Ordered by how strongly the researchers Stephen D. Roughley trusts endorse each paper. Same corpus, a different order for every researcher.
- Visualizing Data using t-SNE
- Molecular properties that influence the oral bioavailability of drug candidates. (Journal of Medicinal Chemistry)
- Unsupervised Data Base Clustering Based on Daylight's Fingerprint and Tanimoto Similarity: A Fast and Automated Way To Cluster Small and Large Data Sets
- Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors (Nature)
- PLIP 2021: expanding the scope of the protein–ligand interaction profiler to DNA and RNA (Nucleic Acids Res.)
- ImageNet classification with deep convolutional neural networks
- Deep Residual Learning for Image Recognition (Computer Vision and Pattern Recognition)
- Long Short-Term Memory
- Learning Multiple Layers of Features from Tiny Images
- Attention is All you Need (Neural Information Processing Systems)
Their papers
- The medicinal chemist's toolbox: an analysis of reactions used in the pursuit of drug candidates. (2011) — 2,042 citations
- Fragment Merging Using a Graph Database Samples Different Catalogue Space than Similarity Search (2023) — 21 citations
- The use of a graph database is a complementary approach to a classical similarity search for identifying commercially available fragment merges (2022)