Matthew D. Segall
Computational Theory and Mathematics · 2002–2012
A researcher in the Science corpus: 6 papers; trusts 1 researcher and is trusted by 0 researchers here, as inferred from the citation graph.
Subfields
- Computational Theory and Mathematics — 22 citations into it
- Spectroscopy — 12 citations into it
- Materials Chemistry — 8 citations into it
Whom Matthew D. Segall trusts overall
Their strongest outbound trust, strongest first, inferred from their citations.
Who trusts Matthew D. Segall overall
- K. Momma
- M. Reich
- Richard I. Cooper
- J. A. Flores-Livas
- Jing Feng
- M. Rubel
- Jiaxuan You
- F. Izumi
- Robert M. Hanson
Papers from Matthew D. Segall's perspective
Ordered by how strongly the researchers Matthew D. Segall trusts endorse each paper. Same corpus, a different order for every researcher.
- PubChem: Integrated Platform of Small Molecules and Biological Activities
- Information Theory, Inference, and Learning Algorithms
- Modern quantum chemistry : introduction to advanced electronic structure theory
- In silico pharmacology for drug discovery: methods for virtual ligand screening and profiling (British Journal of Pharmacology)
- Cramming More Components Onto Integrated Circuits
- Gaussian approximation potentials: the accuracy of quantum mechanics, without the electrons.
- Ab initio molecular dynamics: Theory and Implementation
- The teaching of social and community medicine. Letting students do the work: an aspect of audiovisual aids to teaching.
- Gaussian Processes: A Method for Automatic QSAR Modeling of ADME Properties
- Neural Networks in QSAR and Drug Design
Their papers
- Multi-parameter optimization: identifying high quality compounds with a balance of properties. (2012) — 166 citations
- Gaussian Processes: A Method for Automatic QSAR Modeling of ADME Properties (2007) — 196 citations
- Applying Medicinal Chemistry Transformations and Multiparameter Optimization to Guide the Search for High-Quality Leads and Candidates (2011) — 30 citations
- Can we really do computer-aided drug design? (2011) — 8 citations
- Electron and vibrational spectroscopies using DFT, plane waves and pseudopotentials: CASTEP implementation (2010) — 282 citations
- First-principles simulation: ideas, illustrations and the CASTEP code (2002) — 10,949 citations