A Machine with Chemical Intuition

Slides:



Advertisements
Similar presentations
Structure of a Ubiquitin E1-E2 Complex: Insights to E1-E2 Thioester Transfer Shaun K. Olsen, Christopher D. Lima Molecular Cell Volume 49, Issue 5, Pages.
Advertisements

Individualized Medicine from Prewomb to Tomb Eric J. Topol Cell Volume 157, Issue 1, Pages (March 2014) DOI: /j.cell Copyright.
The Neurobiology of Decision: Consensus and Controversy Joseph W. Kable, Paul W. Glimcher Neuron Volume 63, Issue 6, Pages (September 2009) DOI:
What We Talk About When We Talk About Fat Evan D. Rosen, Bruce M. Spiegelman Cell Volume 156, Issue 1, Pages (January 2014) DOI: /j.cell
Maintaining Cell Identity through Global Control of Genomic Organization Gioacchino Natoli Immunity Volume 33, Issue 1, Pages (July 2010) DOI: /j.immuni
Making Proteins in the Powerhouse B. Martin Hällberg, Nils-Göran Larsson Cell Metabolism Volume 20, Issue 2, Pages (August 2014) DOI: /j.cmet
The Pathobiology of Vascular Dementia Costantino Iadecola Neuron Volume 80, Issue 4, Pages (November 2013) DOI: /j.neuron Copyright.
Decision Making as a Window on Cognition Michael N. Shadlen, Roozbeh Kiani Neuron Volume 80, Issue 3, Pages (October 2013) DOI: /j.neuron
Eph-Ephrin Bidirectional Signaling in Physiology and Disease Elena B. Pasquale Cell Volume 133, Issue 1, Pages (April 2008) DOI: /j.cell
Evolution of the Cancer Stem Cell Model Antonija Kreso, John E. Dick Cell Stem Cell Volume 14, Issue 3, Pages (March 2014) DOI: /j.stem
Nuclear Receptors, RXR, and the Big Bang Ronald M. Evans, David J. Mangelsdorf Cell Volume 157, Issue 1, Pages (March 2014) DOI: /j.cell
ERBB Receptors: From Oncogene Discovery to Basic Science to Mechanism-Based Cancer Therapeutics Carlos L. Arteaga, Jeffrey A. Engelman Cancer Cell Volume.
Human Brown Adipose Tissue Sven Enerbäck Cell Metabolism Volume 11, Issue 4, Pages (April 2010) DOI: /j.cmet Copyright © 2010.
Hippocampal Activity Patterns Carry Information about Objects in Temporal Context Liang-Tien Hsieh, Matthias J. Gruber, Lucas J. Jenkins, Charan Ranganath.
The Mitochondrial Basis of Aging Nuo Sun, Richard J. Youle, Toren Finkel Molecular Cell Volume 61, Issue 5, Pages (March 2016) DOI: /j.molcel
The Current Role of Operative Venous Thrombectomy in Deep Vein Thrombosis Anthony J. Comerota Seminars in Vascular Surgery Volume 25, Issue 1, Pages 2-12.
2002 Air Medical Transport Industry Awards Air Medical Journal Volume 22, Issue 2, Pages (March 2003) DOI: /S X(03) Copyright.
Image Postprocessing in Digital Radiology—A Primer for Technologists Euclid Seeram, RTR, BSc, MSc, FCAMRT, David Seeram Journal of Medical Imaging and.
Normal and Leukemic Stem Cell Niches: Insights and Therapeutic Opportunities Koen Schepers, Timothy B. Campbell, Emmanuelle Passegué Cell Stem Cell Volume.
Gastrulation Movements: the Logic and the Nuts and Bolts Maria Leptin Developmental Cell Volume 8, Issue 3, Pages (March 2005) DOI: /j.devcel
Synthetic Gene Circuits Learn to Classify
“Seeing” the Invisibles at the Single-Molecule Level
Quentin Michaudel, Brett P. Fors  Chem 
Reaction: A New Genesis for Origins Research?
Robert S. Jordan, Yves Rubin  Chem 
Volume 1, Issue 5, Pages (November 2016)
Luc Neuville, Philippe Dauban  Chem 
Redefining Clinical Trials: The Age of Personalized Medicine
Direct Growth of Well-Aligned MOF Arrays onto Various Substrates
Brett A. Helms, Thomas P. Russell  Chem 
Copyright © 2012, Elsevier Inc. All rights Reserved.
Synthesis in the Chemical Space Age
Catalyzing Excellence: In a Competitive High-Stakes Research Arena, Can We Be Our Own Catalysts for Success?  Alyssa-Jennifer Avestro  Chem  Volume 1,
Copyright © 2013 Elsevier Inc. All rights reserved.
Copyright © 2012, Elsevier Inc. All rights Reserved.
Bio-inspired Self-Healing Electrolytes for Li-S Batteries
Igor V. Alabugin, Trevor Harris  Chem 
Volume 4, Issue 3, Pages (March 2018)
Copyright © 2012, Elsevier Inc. All rights Reserved.
Aromatics from Syngas: CO Taking Control
Copyright © 2013 Elsevier Inc. All rights reserved.
Donald Gardenier, Melanie J. Woods, Jaibun K. Earp 
Chasing Endogenous Receptor Dynamics by Chemical Protein Labeling
Photodeposition of Electrochromic Metal Oxide Films
Sensing Very Weak Strains at the Single-Molecule Scale
Organization news Archives of Physical Medicine and Rehabilitation
Modeling Functionality with Use Cases
Copyright © 2012, Elsevier Inc. All rights Reserved.
The Elusive Nature of Excited States in Singlet Fission Materials
Hongcai Gao, Sen Xin, John B. Goodenough  Chem 
Copyright © 2012, Elsevier Inc. All rights Reserved.
Volume 4, Issue 5, Pages (May 2018)
Copyright © 2013 Elsevier Inc. All rights reserved.
Volume 3, Issue 1, Pages 8-10 (July 2017)
Volume 4, Issue 3, Pages (March 2018)
Copyright © 2012, Elsevier Inc. All rights Reserved.
Chapter 15 Contraception
t Testing the Immune System
Volume 2, Issue 6, Pages (June 2017)
High-Performance Conjugated Polymer Photosensitizers
Is Being the Most Trusted Profession a Good Thing?
Array-Based Sensing of Whisky: A Whiff of the Spirit World
Greater Porosity with Redox Reaction Speeds Up MOF Color Change
David Hubel and Torsten Wiesel
Assembling Halogen-Bonded Capsules via Cation Exchange
Helium Shows New Chemistry Not Seen Anywhere Else
Reaction: Synthesis in Drug Discovery, the Short and Long of It
Targeting Protein Stability with a Small Molecule
Metal-Organic Polyhedra to Control the Conductance of a Lipid Membrane
Volume 3, Issue 5, Pages (November 2017)
Presentation transcript:

A Machine with Chemical Intuition Tim Cernak  Chem  Volume 4, Issue 3, Pages 401-403 (March 2018) DOI: 10.1016/j.chempr.2018.02.019 Copyright © 2018 Elsevier Inc. Terms and Conditions

Figure 1 Molecules of Industrial Interest Broken Down In Silico and Synthesized In Vitro (A) Cartoon depiction of a route to α-hydroxyetizolan planned by Chematica and experimentally validated by an international team of chemists. (B) Additional medicinally relevant synthetic targets that yielded to synthesis with Chematica’s suggested route. A total of eight diverse synthetic targets were studied by Grzybowski, Mrksich, Trice, and colleagues.1 Chem 2018 4, 401-403DOI: (10.1016/j.chempr.2018.02.019) Copyright © 2018 Elsevier Inc. Terms and Conditions