Eric J. Martin

Publication Activity (10 Years)

Years Active: 2000-2024
Publications (10 Years): 12

Top Topics

Multidimensional Data Sets

Chemical Compounds

Top Venues

J. Chem. Inf. Model.

Nat. Mach. Intell.

J. Cheminformatics

Publications

Adam Coscia, Haley M. Sapers, Noah Deutsch, Malika Khurana, John S. Magyar, Sergio A. Parra, Daniel R. Utter, Rebecca L. Wipfler, David W. Caress, Eric J. Martin, Jennifer B. Paduan, Maggie Hendrie, Santiago V. Lombeyda, Hillary Mushkin, Alex Endert, Scott Davidoff, Victoria J. Orphan
DeepSee: Multidimensional Visualizations of Seabed Ecosystems. CHI (2024)
Adam Coscia, Haley M. Sapers, Noah Deutsch, Malika Khurana, John S. Magyar, Sergio A. Parra, Daniel R. Utter, Rebecca L. Wipfler, David W. Caress, Eric J. Martin, Jennifer B. Paduan, Maggie Hendrie, Santiago V. Lombeyda, Hillary Mushkin, Alex Endert, Scott Davidoff, Victoria J. Orphan
DeepSee: Multidimensional Visualizations of Seabed Ecosystems. CoRR (2024)
William J. Godinez, Vladimir Trifonov, Bin Fang, Guray Kuzu, Luying Pei, W. Armand Guiguemde, Eric J. Martin, Frederick J. King, Jeremy L. Jenkins, Peter Skewes-Cox
Compound Activity Prediction with Dose-Dependent Transcriptomic Profiles and Deep Learning. J. Chem. Inf. Model. 64 (7) (2024)
Jannis Born, Yoel Shoshan, Tien Huynh, Wendy D. Cornell, Eric J. Martin, Matteo Manica
On the Choice of Active Site Sequences for Kinase-Ligand Affinity Prediction. J. Chem. Inf. Model. 62 (18) (2022)
William J. Godinez, Eric J. Ma, Alexander T. Chao, Luying Pei, Peter Skewes-Cox, Stephen M. Canham, Jeremy L. Jenkins, Joseph M. Young, Eric J. Martin, Armand Guiguemde
Design of potent antimalarials with generative chemistry. Nat. Mach. Intell. 4 (2) (2022)
Nicolas Bosc, Eloy Felix, Ricardo Arcila, David Mendez, Martin R. Saunders, Darren V. S. Green, Jason Ochoada, Anang A. Shelat, Eric J. Martin, Preeti Iyer, Ola Engkvist, Andreas Verras, James Duffy, Jeremy N. Burrows, J. Mark F. Gardner, Andrew R. Leach
MAIP: a web service for predicting blood-stage malaria inhibitors. J. Cheminformatics 13 (1) (2021)
Eric J. Martin, Xiang-Wei Zhu
Collaborative Profile-QSAR: A Natural Platform for Building Collaborative Models among Competing Companies. J. Chem. Inf. Model. 61 (4) (2021)
Aviv Elor, Tiffany Thang, Benjamin Paul Hughes, Alison Crosby, Amy Phung, Everardo Gonzalez, Kakani Katija, Steven H. D. Haddock, Eric J. Martin, Benjamin Eric Erwin, Leila Takayama
Catching Jellies in Immersive Virtual Reality: A Comparative Teleoperation Study of ROVs in Underwater Capture Tasks. VRST (2021)
Eric J. Martin, Johanna M. Jansen
Biased Diversity for Effective Virtual Screening. J. Chem. Inf. Model. 60 (9) (2020)
Eric J. Martin, Valery R. Polyakov, Xiang-Wei Zhu, Li Tian, Prasenjit Mukherjee, Xin Liu
All-Assay-Max2 pQSAR: Activity Predictions as Accurate as Four-Concentration IC50s for 8558 Novartis Assays. J. Chem. Inf. Model. 59 (10) (2019)
Peter Ertl, Richard Lewis, Eric J. Martin, Valery R. Polyakov
In silico generation of novel, drug-like chemical matter using the LSTM neural network. CoRR (2017)
Eric J. Martin, Valery R. Polyakov, Li Tian, Rolando C. Perez
s for Realistically Novel Compounds. J. Chem. Inf. Model. 57 (8) (2017)
Nikolaus Stiefl, Peter Gedeck, Donovan Chin, Peter Hunt, Mika K. Lindvall, Katrin Spiegel, Clayton Springer, Scott Biller, Christoph L. Buenemann, Takanori Kanazawa, Mitsunori Kato, Richard Lewis, Eric J. Martin, Valery R. Polyakov, Ruben Tommasi, John H. Van Drie, Brian Vash, Lewis Whitehead, Yongjin Xu, Ruben Abagyan, Eugene Raush, Maxim Totrov
FOCUS - Development of a Global Communication and Modeling Platform for Applied and Computational Medicinal Chemists. J. Chem. Inf. Model. 55 (4) (2015)
Yufeng Jane Tseng, Eric J. Martin, Cristian Bologa, Anang A. Shelat
Cheminformatics aspects of high throughput screening: from robots to models: symposium summary. J. Comput. Aided Mol. Des. 27 (5) (2013)
Eric J. Martin, Prasenjit Mukherjee
Kinase-Kernel Models: Accurate In silico Screening of 4 Million Compounds Across the Entire Human Kinome. J. Chem. Inf. Model. 52 (1) (2012)
Eric J. Martin, Peter Ertl, Peter Hunt, José S. Duca, Richard Lewis
Gazing into the crystal ball; the future of computer-aided drug design. J. Comput. Aided Mol. Des. 26 (1) (2012)
Prasenjit Mukherjee, Eric J. Martin
Profile-QSAR and Surrogate AutoShim Protein-Family Modeling of Proteases. J. Chem. Inf. Model. 52 (9) (2012)
Eric J. Martin, Prasenjit Mukherjee, David C. Sullivan, Johanna M. Jansen
-QSAR Method that Combines Activities across the Kinase Family To Accurately Predict Affinity, Selectivity, and Cellular Activity. J. Chem. Inf. Model. 51 (8) (2011)
Prasenjit Mukherjee, Eric J. Martin
Development of a Minimal Kinase Ensemble Receptor (MKER) for Surrogate AutoShim. J. Chem. Inf. Model. 51 (10) (2011)
Pascal Bonnet, Dimitris K. Agrafiotis, Fangqiang Zhu, Eric J. Martin
Conformational Analysis of Macrocycles: Finding What Common Search Methods Miss. J. Chem. Inf. Model. 49 (10) (2009)
Eric J. Martin, David C. Sullivan
Surrogate AutoShim: Predocking into a Universal Ensemble Kinase Receptor for Three Dimensional Activity Prediction, Very Quickly, without a Crystal Structure. J. Chem. Inf. Model. 48 (4) (2008)
David C. Sullivan, Eric J. Martin
Exploiting Structure-Activity Relationships in Docking. J. Chem. Inf. Model. 48 (4) (2008)
Eric J. Martin, David C. Sullivan
Training Data. J. Chem. Inf. Model. 48 (4) (2008)
Dimitris K. Agrafiotis, Alan C. Gibbs, Fangqiang Zhu, Sergei Izrailev, Eric J. Martin
Conformational Sampling of Bioactive Molecules: A Comparative Study. J. Chem. Inf. Model. 47 (3) (2007)
Eric J. Martin, Alex Wong
Sensitivity Analysis and Other Improvements to Tailored Combinatorial Library Design. J. Chem. Inf. Comput. Sci. 40 (2) (2000)