Andreas Bender

Computational Theory and Mathematics · 2004–2021

A researcher in the Science corpus: 12 papers; trusts 2 researchers and is trusted by 8 researchers here, as inferred from the citation graph.

Subfields

• Computational Theory and Mathematics — 125 citations into it; #6,350 of 12,182 by trust here, #527 by citations
• Spectroscopy — 25 citations into it; #808 of 1,674 by trust here, #421 by citations
• Physical and Theoretical Chemistry — 12 citations into it

Whom Andreas Bender trusts overall

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

1. Matthias Rarey
2. John D. Holliday
3. J. Ross Quinlan
4. Jean-Loup Faulon
5. Robert C. Glen
6. Chun Wei Yap
7. Peter Willett

Who trusts Andreas Bender overall

1. Igor V. Tetko
2. Lars Rosenbaum
3. Andreas Mayr
4. Hanna Eckert
5. Dougal Maclaurin
6. Georg Hinselmann
7. Sereina Riniker
8. Noel M. O'Boyle
9. Sandro Cosconati
10. Adrià Cereto-Massagué

Papers from Andreas Bender's perspective

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

1. Rectified Linear Units Improve Restricted Boltzmann Machines
2. DrugBank 3.0: a comprehensive resource for ‘Omics’ research on drugs
3. Learning with Kernels: support vector machines, regularization, optimization, and beyond
4. Bagging Predictors
5. Virtual Computational Chemistry Laboratory – Design and Description
6. DrugBank: a comprehensive resource for in silico drug discovery and exploration
7. PubChem: Integrated Platform of Small Molecules and Biological Activities
8. Learning with Kernels
9. ChEMBL: a large-scale bioactivity database for drug discovery
10. Recent developments of the chemistry development kit (CDK) - an open-source java library for chemo- and bioinformatics.

Their papers

• Molecular Similarity Searching Using Atom Environments, Information-Based Feature Selection, and a Naïve Bayesian Classifier (2004) — 241 citations
• Synergy Maps: exploring compound combinations using network-based visualization (2015) — 33 citations
• DeepSynergy: predicting anti-cancer drug synergy with Deep Learning (2017) — 577 citations
• Analysis of Pharmacology Data and the Prediction of Adverse Drug Reactions and Off‐Target Effects from Chemical Structure (2007) — 306 citations
• Molecular similarity: a key technique in molecular informatics. (2004) — 587 citations
• Recognizing Pitfalls in Virtual Screening: A Critical Review (2012) — 394 citations
• Similarity Searching of Chemical Databases Using Atom Environment Descriptors (MOLPRINT 2D): Evaluation of Performance (2004) — 305 citations
• Benchmarking of protein descriptor sets in proteochemometric modeling (part 1): comparative study of 13 amino acid descriptor sets (2013) — 113 citations
• Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information (2011) — 610 citations
• Integrating high-content screening and ligand-target prediction to identify mechanism of action. (2008) — 344 citations
• DOCKSTRING: Easy Molecular Docking Yields Better Benchmarks for Ligand Design (2021) — 126 citations
• Circular fingerprints: flexible molecular descriptors with applications from physical chemistry to ADME. (2006) — 194 citations