Noel M. O'Boyle

Computational Theory and Mathematics · 2007–2016

A researcher in the Science corpus: 8 papers; trusts 17 researchers and is trusted by 31 researchers here, as inferred from the citation graph.

Subfields

Whom Noel M. O'Boyle trusts overall

Their strongest outbound trust, strongest first, inferred from their citations.

  1. Christoph Steinbeck
  2. John J. Irwin
  3. Wolf-Dietrich Ihlenfeldt
  4. Sereina Riniker
  5. Anna Gaulton
  6. Junmei Wang
  7. David Weininger
  8. M. Sastry
  9. Peter Ertl
  10. Brian K. Shoichet

Who trusts Noel M. O'Boyle overall

  1. Dongsheng Cao
  2. Mariya Popova
  3. Adrià Cereto-Massagué
  4. Shitong Luo
  5. Junmei Wang
  6. Hirotomo Moriwaki
  7. Garrett B. Goh
  8. Rocco Meli
  9. Qingsong Xu
  10. Zhengdao Chen

Papers from Noel M. O'Boyle's perspective

Ordered by how strongly the researchers Noel M. O'Boyle trusts endorse each paper. Same corpus, a different order for every researcher.

  1. ChEMBL: a large-scale bioactivity database for drug discovery
  2. The ChEMBL bioactivity database: an update
  3. Fast calculation of molecular polar surface area as a sum of fragment-based contributions and its application to the prediction of drug transport properties.
  4. Recent developments of the chemistry development kit (CDK) - an open-source java library for chemo- and bioinformatics.
  5. Open Babel: An open chemical toolbox
  6. Evaluating Virtual Screening Methods: Good and Bad Metrics for the "Early Recognition" Problem
  7. The Generation of a Unique Machine Description for Chemical Structures-A Technique Developed at Chemical Abstracts Service.
  8. Comparison of Topological, Shape, and Docking Methods in Virtual Screening (Journal of Chemical Information and Modeling)
  9. Molecular Similarity Searching Using Atom Environments, Information-Based Feature Selection, and a Naïve Bayesian Classifier
  10. Large-Scale Systematic Analysis of 2D Fingerprint Methods and Parameters to Improve Virtual Screening Enrichments

Their papers