SPROUT: A program for structure generation

By Valerie J. Gillet, A. Peter Johnson, Paulina Mata, Sandor Sike, Philip Williams. 1993

Subfields: Computer Vision and Pattern Recognition

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In Computer Vision and Pattern Recognition

1. Gisbert Schneider
2. Markus Hartenfeller

Citations in the corpus

• A Role for Fragment-Based Drug Design in Developing Novel Lead Compounds for Central Nervous System Targets (2015, background): “Once these characteristics are identified, a fragment library can be screened to find molecules that match the constraints, which could then be combined to form novel compound scaffolds and ranked for predicted affinity (26).”
• What Is High-Throughput Virtual Screening? A Perspective from Organic Materials Discovery (2015, unknown): “(21, 22, 23, 24, 25, 26, 27, 28, 29, 30).”
• Automated design of ligands to polypharmacological profiles (2012, methodology): “An All Data Model for dopamine receptors only was built using data from pre release of ChEMBL (StARLite version 31), with similar numbers of compounds and endpoints.”
• AutoGrow 3.0: an improved algorithm for chemically tractable, semi-automated protein inhibitor design. (2013, unknown): “[6] V.”
• Enabling future drug discovery by de novo design (2011, methodology): “The approach is similar to the idea of SPROUT, 24–26 which was published five years earlier.”