Peter Ertl
Computational Theory and Mathematics · 2000–2017
A researcher in the Science corpus: 9 papers; trusts 5 researchers and is trusted by 49 researchers here, as inferred from the citation graph.
Subfields
- Computational Theory and Mathematics — 41 citations into it; #691 of 12,182 by trust here, #368 by citations
- Computational Chemistry & Drug Discovery — 25 citations into it; #52 of 425 by trust here, #201 by citations
- Molecular Biology — 24 citations into it; #4,834 of 17,773 by trust here, #5,137 by citations
- Materials Chemistry — 18 citations into it; #845 of 11,513 by trust here, #5,575 by citations
Whom Peter Ertl trusts overall
Their strongest outbound trust, strongest first, inferred from their citations.
- Esben Jannik Bjerrum
- Wolf-Dietrich Ihlenfeldt
- David Weininger
- Lars Ruddigkeit
- Eric J. Martin
- Xiufeng Yang
- Ansgar Schuffenhauer
- Anvita Gupta
- Rafael Gómez‐Bombarelli
- Anna Gaulton
Who trusts Peter Ertl overall
- Axel Drefahl
- Shitong Luo
- Esben Jannik Bjerrum
- Ryan-Rhys Griffiths
- A. Harvey
- Josep Arús‐Pous
- Nicola De Cao
- Iurii Sushko
- Kristina Preuer
- José Miguel Hernández-Lobato
Papers from Peter Ertl's perspective
Ordered by how strongly the researchers Peter Ertl trusts endorse each paper. Same corpus, a different order for every researcher.
- Long Short-Term Memory
- Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions
- Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules
- TensorFlow: Large-Scale Machine Learning on Heterogeneous Distributed Systems
- Generating Focused Molecule Libraries for Drug Discovery with Recurrent Neural Networks
- Fast calculation of molecular polar surface area as a sum of fragment-based contributions and its application to the prediction of drug transport properties.
- PubChem: Integrated Platform of Small Molecules and Biological Activities
- ChEMBL: a large-scale bioactivity database for drug discovery
- SMILES Enumeration as Data Augmentation for Neural Network Modeling of Molecules
- Adam: A Method for Stochastic Optimization (International Conference on Learning Representations)
Their papers
- Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions (2009) — 1,856 citations
- Virtual Computational Chemistry Laboratory – Design and Description (2005) — 1,460 citations
- Fast calculation of molecular polar surface area as a sum of fragment-based contributions and its application to the prediction of drug transport properties. (2000) — 2,881 citations
- Molecular structure input on the web (2010) — 103 citations
- Natural Product-likeness Score and Its Application for Prioritization of Compound Libraries (2008) — 323 citations
- In silico generation of novel, drug-like chemical matter using the LSTM neural network (2017) — 62 citations
- Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information (2011) — 610 citations
- Computational approaches to determine drug solubility. (2007) — 158 citations
- The Scaffold Tree - Visualization of the Scaffold Universe by Hierarchical Scaffold Classification (2007) — 340 citations