Drug Guru: a computer software program for drug design using medicinal chemistry rules.

By K. Stewart, M. Shiroda, C. James. 2006

99 citations recorded by the source corpus.

Subfields: Molecular Biology, Organic Chemistry, Pharmacology, 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 Molecular Biology

1. Francesca Grisoni
2. José Jiménez-Luna
3. Gisbert Schneider
4. Nils Weskamp
5. C. K. Surratt
6. Jeffry D. Madura
7. Michael J. Wasko
8. Kendy A. Pellegrene

In Organic Chemistry

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

In Pharmacology

1. Francesca Grisoni
2. Gisbert Schneider
3. C. K. Surratt
4. Jeffry D. Madura

In Computational Chemistry & Drug Discovery

1. Gisbert Schneider
2. Nils Weskamp
3. José Jiménez-Luna
4. C. K. Surratt
5. Jeffry D. Madura
6. Francesca Grisoni
7. Michael J. Wasko
8. Kendy A. Pellegrene

Citations in the corpus

• A Role for Fragment-Based Drug Design in Developing Novel Lead Compounds for Central Nervous System Targets (2015, background): “A first effort in this direction was Drug Guru ™ , a web-based program that applies medicinal chemistry rules to a starting fragment (50).”
• Artificial intelligence in drug discovery: recent advances and future perspectives (2021, methodology): “Contemporary approaches are based on applying a given set of molecular transformations for optimization, such as matched molecular pairs [114,115], or rules-of-thumb for functional group and molecular framework modification [116].”