Similarity searching and scaffold hopping in synthetically accessible combinatorial chemistry spaces.

By M. Boehm, Tong Wu, Holger Claussen, Christian Lemmen. 2008

86 citations recorded by the source corpus.

Subfields: Artificial Intelligence, Computational Theory and Mathematics, Physical and Theoretical Chemistry, Computational Chemistry & Drug Discovery

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Artificial Intelligence

1. Gisbert Schneider

In Computational Theory and Mathematics

1. C. K. Surratt
2. Jeffry D. Madura
3. Gisbert Schneider
4. Michael J. Wasko
5. Kendy A. Pellegrene
6. Roderick E. Hubbard
7. Francesca Grisoni
8. Markus Hartenfeller

In Physical and Theoretical Chemistry

1. Gisbert Schneider

In Computational Chemistry & Drug Discovery

1. Gisbert Schneider
2. C. K. Surratt
3. Jeffry D. Madura
4. Michael J. Wasko
5. Kendy A. Pellegrene
6. Roderick E. Hubbard

Citations in the corpus

• A Role for Fragment-Based Drug Design in Developing Novel Lead Compounds for Central Nervous System Targets (2015, background): “The resulting structures should maximize the chemical space within the receptor (59).”
• The enumeration of chemical space (2012, unknown): “51”
• Virtual screening: an endless staircase? (2010, background): “In this way, technical advances will enable the practical realization and application of virtual screening concepts, in particular through compound optimization in large combinatorial chemistry spaces that are both synthetically accessible and guided by pharmacophoric compliance with the known world”