Hit discovery and hit-to-lead approaches.

By G. Keserű, G. Makara. 2006

232 citations recorded by the source corpus.

Subfields: Hardware and Architecture, Materials Chemistry

How researchers see this paper

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

In Hardware and Architecture

1. Brett K. Beaulieu-Jones
2. Yanjun Qi
3. Casey S. Greene

In Materials Chemistry

1. Yanjun Qi
2. Jinbo Xu
3. Anshul B Kundaje
4. Jack Lanchantin
5. Avanti Shrikumar
6. Marwin H. S. Segler
7. S. Joshua Swamidass
8. Sheng Wang

Citations in the corpus

• Opportunities and obstacles for deep learning in biology and medicine (2017, background): “Initial hits are confirmed to eliminate false positives and proceed to the lead generation stage [294], where they are evaluated for absorption, distribution, metabolism, excretion, and toxicity (ADMET) and other properties.”
• A Structure-Based Drug Discovery Paradigm (2019, background): “In the fragment-linking method, the binding site is identified to map the probable interacting points for different functional groups present in the fragments [44].”