Roger A. Sayle
Molecular Biology · 1995–2020
A researcher in the Science corpus: 8 papers; trusts 7 researchers and is trusted by 75 researchers here, as inferred from the citation graph.
Subfields
- Molecular Biology — 41 citations into it
- Computational Theory and Mathematics — 37 citations into it; #7,813 of 12,182 by trust here, #1,633 by citations
- Computational Chemistry & Drug Discovery — 27 citations into it
- Spectroscopy — 8 citations into it
- Materials Chemistry — 7 citations into it
Whom Roger A. Sayle trusts overall
Their strongest outbound trust, strongest first, inferred from their citations.
Who trusts Roger A. Sayle overall
- Roman A. Laskowski
- Kevin J. Karplus
- Andreas D. Baxevanis
- A. Herráez
- Jürgen Kopp
- Xiang-Jun Lu
- Janet M. Thornton
- Douglas L. Theobald
- Dmitri K. Klimov
- Nicholas M. Luscombe
Papers from Roger A. Sayle's perspective
Ordered by how strongly the researchers Roger A. Sayle trusts endorse each paper. Same corpus, a different order for every researcher.
- Evaluating Virtual Screening Methods: Good and Bad Metrics for the "Early Recognition" Problem
- Comparison of Topological, Shape, and Docking Methods in Virtual Screening (Journal of Chemical Information and Modeling)
- Large-Scale Systematic Analysis of 2D Fingerprint Methods and Parameters to Improve Virtual Screening Enrichments
- The properties of known drugs. 1. Molecular frameworks.
- DrugBank: a comprehensive resource for in silico drug discovery and exploration
- Benchmarking sets for molecular docking.
- Open-source platform to benchmark fingerprints for ligand-based virtual screening
- Molecular similarity in medicinal chemistry.
- Analysis and comparison of 2D fingerprints: insights into database screening performance using eight fingerprint methods (Journal of Cheminformatics)
- GENIA corpus - a semantically annotated corpus for bio-textmining
Their papers
- The CHEMDNER corpus of chemicals and drugs and its annotation principles (2015) — 444 citations
- ZINC20 – A Free Ultra Large-Scale Chemical Database for Ligand Discovery (2020) — 849 citations
- Development of a Novel Fingerprint for Chemical Reactions and Its Application to Large-Scale Reaction Classification and Similarity (2015) — 182 citations
- Big Data from Pharmaceutical Patents: A Computational Analysis of Medicinal Chemists' Bread and Butter. (2016) — 329 citations
- Get Your Atoms in Order - An Open-Source Implementation of a Novel and Robust Molecular Canonicalization Algorithm (2015) — 131 citations
- Comparing structural fingerprints using a literature-based similarity benchmark (2016) — 215 citations
- Corrections to "Development of a Novel Fingerprint for Chemical Reactions and Its Application to Large-Scale Reaction Classification and Similarity" (2015) — 3 citations
- RASMOL: biomolecular graphics for all. (1995)