Gerard Pujadas

Computational Theory and Mathematics · 2015

A researcher in the Science corpus: 1 paper; trusts 3 researchers and is trusted by 0 researchers here, as inferred from the citation graph.

Subfields

Whom Gerard Pujadas trusts

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

  1. Hongmao Sun (in Computational Theory and Mathematics)
  2. Geoffrey R. Hutchison (in Computational Theory and Mathematics)
  3. Noel M. O'Boyle (in Materials Chemistry)

Papers from Gerard Pujadas's perspective

Ordered by how strongly the researchers Gerard Pujadas trusts endorse each paper. Same corpus, a different order for every researcher.

  1. Recent developments of the chemistry development kit (CDK) - an open-source java library for chemo- and bioinformatics.
  2. Extended-Connectivity Fingerprints
  3. The Generation of a Unique Machine Description for Chemical Structures-A Technique Developed at Chemical Abstracts Service.
  4. Molecular Similarity Searching Using Atom Environments, Information-Based Feature Selection, and a Naïve Bayesian Classifier
  5. Similarity Searching of Chemical Databases Using Atom Environment Descriptors (MOLPRINT 2D): Evaluation of Performance (Journal of Chemical Information and Modeling)
  6. Open Babel: An open chemical toolbox
  7. SMILES. 2. Algorithm for generation of unique SMILES notation
  8. ZINC: A Free Tool to Discover Chemistry for Biology
  9. Comparison of Topological, Shape, and Docking Methods in Virtual Screening (Journal of Chemical Information and Modeling)
  10. Large-Scale Systematic Analysis of 2D Fingerprint Methods and Parameters to Improve Virtual Screening Enrichments

Their papers