Ansgar Schuffenhauer

Computational Theory and Mathematics · 2007–2011

A researcher in the Science corpus: 4 papers; trusts 2 researchers and is trusted by 39 researchers here, as inferred from the citation graph.

Subfields

• Computational Theory and Mathematics — 38 citations into it; #1,047 of 12,182 by trust here, #937 by citations
• Molecular Biology — 35 citations into it; #12,929 of 17,773 by trust here, #12,008 by citations
• Computational Chemistry & Drug Discovery — 14 citations into it; #50 of 425 by trust here, #201 by citations

Whom Ansgar Schuffenhauer trusts overall

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

1. Wolf-Dietrich Ihlenfeldt
2. Peter Ertl

Who trusts Ansgar Schuffenhauer overall

1. Shitong Luo
2. Esben Jannik Bjerrum
3. Nicola De Cao
4. Peter Ertl
5. Josep Arús‐Pous
6. Jean-Louis Reymond
7. Kristina Preuer
8. Mariya Popova
9. Matt J. Kusner
10. A. Harvey

Papers from Ansgar Schuffenhauer's perspective

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

1. Computer‐Assisted Planning of Organic Syntheses: The Second Generation of Programs
2. Structure and reaction based evaluation of synthetic accessibility
3. PubChem: Integrated Platform of Small Molecules and Biological Activities
4. Virtual Computational Chemistry Laboratory – Design and Description
5. Fast calculation of molecular polar surface area as a sum of fragment-based contributions and its application to the prediction of drug transport properties.
6. DrugBank: a comprehensive resource for in silico drug discovery and exploration
7. Comparison of Automatic Three-Dimensional Model Builders Using 639 X-ray Structures
8. Calculation of molecular lipophilicity: state of the art and comparison of methods on more than 96000 compounds (Journal of Pharmacy and Science)
9. Molecular structure input on the web
10. Recent developments of the chemistry development kit (CDK) - an open-source java library for chemo- and bioinformatics.

Their papers

• Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions (2009) — 1,856 citations
• Natural Product-likeness Score and Its Application for Prioritization of Compound Libraries (2008) — 323 citations
• Recent trends and observations in the design of high-quality screening collections. (2011) — 54 citations
• The Scaffold Tree - Visualization of the Scaffold Universe by Hierarchical Scaffold Classification (2007) — 340 citations