Drug discovery

Drug Discovery and Natural Products: End of an Era or an Endless Frontier?

Jesse W.-H. Li, John C. Vederas

Citations: 2051 • 2009

Lab-on-a-chip: microfluidics in drug discovery

Petra S. Dittrich, A. Manz

Citations: 1828 • 2006

Controlling an organic synthesis robot with machine learning to search for new reactivity

Jarosław M. Granda, Liva Donina, Vincenza Dragone, De‐Liang Long, Leroy Cronin

Citations: 770 • 2018

Advancing Drug Discovery via Artificial Intelligence

H. C. Stephen Chan, Hanbin Shan, Thamani Dahoun, Horst Vogel, Shuguang Yuan

Citations: 634 • 2019

Deep Learning Applications for Predicting Pharmacological Properties of Drugs and Drug Repurposing Using Transcriptomic Data

Alexander Aliper, Sergey Plis, Artem V. Artemov, Alvaro Ulloa, Polina Mamoshina, Alex Zhavoronkov

Citations: 600 • 2016

Adaptation of High-Throughput Screening in Drug Discovery—Toxicological Screening Tests

Paweł Szymański, Magdalena Markowicz-Piasecka, Elżbieta Mikiciuk‐Olasik

Citations: 439 • 2011

Plant natural products: Back to the future or into extinction?

James D. McChesney, Sylesh K. Venkataraman, John T. Henri

Citations: 376 • 2007

Keynote review: Structural biology and drug discovery

Miles Congreve, Christopher W. Murray, Tom L. Blundell

Citations: 340 • 2005

Zebrafish embryos and larvae: A new generation of disease models and drug screens

Shaukat Ali, Danielle L. Champagne, Herman P. Spaink, Michael K. Richardson

Citations: 253 • 2011

Virtual Screening in Drug Discovery

Juan Alvarez, Brian K. Shoichet

Citations: 234 • 2005

Combinatorial compound libraries for drug discovery: an ongoing challenge

H. Mario Geysen, Frank J. Schoenen, David S. Wagner, Richard W. Wagner

Citations: 224 • 2003

Metabolic Stability for Drug Discovery and Development

Collen Masimirembwa, Ulf Bredberg, Tommy B. Andersson

Citations: 219 • 2003

High-throughput discovery of organic cages and catenanes using computational screening fused with robotic synthesis

Rebecca L. Greenaway, Valentina Santolini, Michael J. Bennison, Ben M. Alston, C. J. Pugh, Marc A. Little, Marcin Miklitz, E. G. B. Eden-Rump, Rob Clowes, A. Shakil, H. J. Cuthbertson, H. Armstrong, Michael E. Briggs, Kim E. Jelfs, Andrew I. Cooper

Citations: 215 • 2018

An efficient rapid system for profiling the cellular activities of molecular libraries

Jonathan S. Melnick, Jeff Janes, Sung Joon Kim, Jim Chang, Daniel G. Sipes, Drew Gunderson, Laura Jarnes, Jason Matzen, Michael Garcia, Tami Hood, Ronak Beigi, Gang Xia, Richard A. Harig, Hayk Asatryan, S. Frank Yan, Yingyao Zhou, Xiang-ju Gu, Alham Saadat, Vicki Zhou, Frederick J. King, Christopher M. Shaw, Andrew I. Su, Robert T. Downs, Nathanael S. Gray, Peter G. Schultz, Markus Warmuth, Jeremy S. Caldwell

Citations: 185 • 2006

Two approaches to discovering and developing new drugs for Chagas disease

McKerrow Jh, PS Doyle, Engel Jc, LM Podust, Sheilah A. Robertson, Rafaela Salgado Ferreira, T Saxton, Michelle R. Arkin, ID Kerr, LS Brinen, CS Craik

Citations: 173 • 2009

Universal Chemical Synthesis and Discovery with ‘The Chemputer’

Piotr S. Gromski, Jarosław M. Granda, Leroy Cronin

Citations: 164 • 2019

Virtual screening for the discovery of bioactive natural products

Judith M. Rollinger, Hermann Stuppner, Thierry Langer

Citations: 162 • 2007

Cheaper faster drug development validated by the repositioning of drugs against neglected tropical diseases

Kevin Williams, Elizabeth Bilsland, Andrew C. Sparkes, Wayne Aubrey, Michael J. Young, Larisa Soldatova, Kurt De Grave, Jan Ramon, Michaela de Clare, Worachart Sirawaraporn, Stephen G. Oliver, Ross D. King

Citations: 161 • 2015

A FRET-Based Assay Platform for Ultra-High Density Drug Screening of Protein Kinases and Phosphatases

Steven Rodems, Brian D. Hamman, Christina M. Lin, Jane Zhao, Sundeep Shah, David K. Heidary, Lew Makings, Jeffrey H. Stack, Brian A. Pollok

Citations: 160 • 2002

Optimization of a Higher Throughput Microsomal Stability Screening Assay for Profiling Drug Discovery Candidates

Li Di, Edward H. Kerns, Yan Hong, Teresa Kleintop, Oliver J. McConnell, Donna M. Huryn

Citations: 137 • 2003