Jeremy L. Jenkins - researchr alias

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Viewing Publication 1 - 18 from 18

2024

Pocket Crafter: a 3D generative modeling based workflow for the rapid generation of hit molecules in drug discoveryLingling Shen, Jian Fang, Lulu Liu, Fei Yang, Jeremy L. Jenkins, Peter S. Kutchukian, He Wang. jcheminf, 16(1):33, December 2024. [doi]

2022

Design of potent antimalarials with generative chemistryWilliam 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. natmi, 4(2):180-186, 2022. [doi]

2020

Ten simple rules to power drug discovery with data scienceEnrico Ferrero, Sophie Brachat, Jeremy L. Jenkins, Philippe Marc, Peter Skewes-Cox, Robert C. Altshuler, Caroline Gubser Keller, Audrey Kauffmann, Erik K. Sassaman, Jason M. Laramie, Birgit Schoeberl, Mark L. Borowsky, Nikolaus Stiefl. ploscb, 16(8), 2020. [doi]

2019

Benchmarking network algorithms for contextualizing genes of interestAbby Hill, Scott Gleim, Florian Kiefer, Frederic Sigoillot, Joseph Loureiro, Jeremy L. Jenkins, Melody K. Morris. ploscb, 15(12), 2019. [doi]

2016

Data-Driven Derivation of an "Informer Compound Set" for Improved Selection of Active Compounds in High-Throughput ScreeningShardul Paricharak, Adriaan P. IJzerman, Jeremy L. Jenkins, Andreas Bender, Florian Nigsch. jcisd, 56(9):1622-1630, 2016. [doi]

2014

Using Information from Historical High-Throughput Screens to Predict Active CompoundsSereina Riniker, Yuan Wang, Jeremy L. Jenkins, Gregory A. Landrum. jcisd, 54(7):1880-1891, 2014. [doi]

2012

Determination of minimal transcriptional signatures of compounds for target predictionFlorian Nigsch, Janna Hutz, Ben Cornett, Douglas W. Selinger, Gregory McAllister, Somnath Bandyopadhyay, Joseph Loureiro, Jeremy L. Jenkins. ejbsb, 2012:2, 2012. [doi]

2011

Activity-Aware Clustering of High Throughput Screening Data and Elucidation of Orthogonal Structure-Activity RelationshipsEugen Lounkine, Florian Nigsch, Jeremy L. Jenkins, Meir Glick. jcisd, 51(12):3158-3168, 2011. [doi]

2009

How Similar Are Similarity Searching Methods? A Principal Component Analysis of Molecular Descriptor SpaceAndreas Bender, Jeremy L. Jenkins, Josef Scheiber, Sai Chetan K. Sukuru, Meir Glick, John W. Davies. jcisd, 49(1):108-119, 2009. [doi]

Chemogenomics: Looking at biology through the lens of chemistryMunikumar R. Doddareddy, Gerard J. P. van Westen, Eelke van der Horst, Julio E. Peironcely, Frans Corthals, Adriaan P. IJzerman, Michael Emmerich, Jeremy L. Jenkins, Andreas Bender. sadm, 2(3):149-160, 2009. [doi]

Gaining Insight into Off-Target Mediated Effects of Drug Candidates with a Comprehensive Systems Chemical Biology AnalysisJosef Scheiber, Bin Chen, Mariusz Milik, Sai Chetan K. Sukuru, Andreas Bender, Dmitri Mikhailov, Steven Whitebread, Jacques Hamon, Kamal Azzaoui, Laszlo Urban, Meir Glick, John W. Davies, Jeremy L. Jenkins. jcisd, 49(2):308-317, 2009. [doi]

SPREAD - exploiting chemical features that cause differential activity behaviorJosef Scheiber, Jeremy L. Jenkins, Andreas Bender, Mariusz Milik, Dmitri Mikhailov, Sai Chetan K. Sukuru, Ben Cornett, Steven Whitebread, Laszlo Urban, John W. Davies, Meir Glick. sadm, 2(2):115-122, 2009. [doi]

2008

Ligand-Target Prediction Using Winnow and Naive Bayesian Algorithms and the Implications of Overall Performance StatisticsFlorian Nigsch, Andreas Bender, Jeremy L. Jenkins, John B. O. Mitchell. jcisd, 48(12):2313-2325, 2008. [doi]

2007

2006

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