Eric J. Martin

26 papers A* 1B 1Journal 24
YearRankTypeTitle / Venue / Authors
2026 J jnl
Comparing massively-multitask regression algorithms for drug discovery.
J. Comput. Aided Mol. Des.
Eric J. Martin, Xiang-wei Zhu, Patrick Riley, Steven Kearnes, Ekaterina A. Sosnina, Li Tian, Chi-Ming Che, Zijian Wang, Ying Wei, Thomas M. Whitehead, Gareth John Conduit, Matthew D. Segall
2024 J jnl
Compound Activity Prediction with Dose-Dependent Transcriptomic Profiles and Deep Learning.
J. Chem. Inf. Model.
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
2024 A* conf
DeepSee: Multidimensional Visualizations of Seabed Ecosystems.
CHI
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
2024 J jnl
DeepSee: Multidimensional Visualizations of Seabed Ecosystems.
CoRR
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
2022 J jnl
Design of potent antimalarials with generative chemistry.
Nat. Mach. Intell.
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
2022 J jnl
On the Choice of Active Site Sequences for Kinase-Ligand Affinity Prediction.
J. Chem. Inf. Model.
Jannis Born, Yoel Shoshan, Tien Huynh, Wendy D. Cornell, Eric J. Martin, Matteo Manica
2021 B conf
Catching Jellies in Immersive Virtual Reality: A Comparative Teleoperation Study of ROVs in Underwater Capture Tasks.
VRST
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
2021 J jnl
Collaborative Profile-QSAR: A Natural Platform for Building Collaborative Models among Competing Companies.
J. Chem. Inf. Model.
Eric J. Martin, Xiang-wei Zhu
2021 J jnl
MAIP: a web service for predicting blood-stage malaria inhibitors.
J. Cheminformatics
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
2020 J jnl
Biased Diversity for Effective Virtual Screening.
J. Chem. Inf. Model.
Eric J. Martin, Johanna M. Jansen
2019 J jnl
All-Assay-Max2 pQSAR: Activity Predictions as Accurate as Four-Concentration IC50s for 8558 Novartis Assays.
J. Chem. Inf. Model.
Eric J. Martin, Valery R. Polyakov, Xiang-wei Zhu, Li Tian, Prasenjit Mukherjee, Xin Liu
2017 J jnl
In silico generation of novel, drug-like chemical matter using the LSTM neural network.
CoRR
Peter Ertl, Richard Lewis, Eric J. Martin, Valery R. Polyakov
2017 J jnl
Profile-QSAR 2.0: Kinase Virtual Screening Accuracy Comparable to Four-Concentration IC
J. Chem. Inf. Model.
Eric J. Martin, Valery R. Polyakov, Li Tian, Rolando C. Perez
2015 J jnl
FOCUS - Development of a Global Communication and Modeling Platform for Applied and Computational Medicinal Chemists.
J. Chem. Inf. Model.
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 A. 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
2013 J jnl
Cheminformatics aspects of high throughput screening: from robots to models: symposium summary.
J. Comput. Aided Mol. Des.
Yufeng Jane Tseng, Eric J. Martin, Cristian Bologa, Anang A. Shelat
2012 J jnl
Gazing into the crystal ball; the future of computer-aided drug design.
J. Comput. Aided Mol. Des.
Eric J. Martin, Peter Ertl, Peter Hunt, José S. Duca, Richard Lewis
2012 J jnl
Kinase-Kernel Models: Accurate In silico Screening of 4 Million Compounds Across the Entire Human Kinome.
J. Chem. Inf. Model.
Eric J. Martin, Prasenjit Mukherjee
2012 J jnl
Profile-QSAR and Surrogate AutoShim Protein-Family Modeling of Proteases.
J. Chem. Inf. Model.
Prasenjit Mukherjee, Eric J. Martin
2011 J jnl
Development of a Minimal Kinase Ensemble Receptor (MKER) for Surrogate AutoShim.
J. Chem. Inf. Model.
Prasenjit Mukherjee, Eric J. Martin
2011 J jnl
Profile-QSAR: A Novel
J. Chem. Inf. Model.
Eric J. Martin, Prasenjit Mukherjee, David C. Sullivan, Johanna M. Jansen
2009 J jnl
Conformational Analysis of Macrocycles: Finding What Common Search Methods Miss.
J. Chem. Inf. Model.
Pascal Bonnet, Dimitris K. Agrafiotis, Fangqiang Zhu, Eric J. Martin
2008 J jnl
AutoShim: Empirically Corrected Scoring Functions for Quantitative Docking with a Crystal Structure and IC
J. Chem. Inf. Model.
Eric J. Martin, David C. Sullivan
2008 J jnl
Exploiting Structure-Activity Relationships in Docking.
J. Chem. Inf. Model.
David C. Sullivan, Eric J. Martin
2008 J jnl
Surrogate AutoShim: Predocking into a Universal Ensemble Kinase Receptor for Three Dimensional Activity Prediction, Very Quickly, without a Crystal Structure.
J. Chem. Inf. Model.
Eric J. Martin, David C. Sullivan
2007 J jnl
Conformational Sampling of Bioactive Molecules: A Comparative Study.
J. Chem. Inf. Model.
Dimitris K. Agrafiotis, Alan C. Gibbs, Fangqiang Zhu, Sergei Izrailev, Eric J. Martin
2000 J jnl
Sensitivity Analysis and Other Improvements to Tailored Combinatorial Library Design.
J. Chem. Inf. Comput. Sci.
Eric J. Martin, Alex Wong