Eric J Martin
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Explore the profile of Eric J Martin including associated specialties, affiliations and a list of published articles.
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23
Citations
203
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Recent Articles
11.
Martin E, Jansen J
J Chem Inf Model
. 2020 Feb;
60(9):4116-4119.
PMID: 32026691
Virtual screening is no longer merely a matter of identifying the subset of compounds from a large collection likely to be active against a particular endpoint. This viewpoint shares some...
12.
Martin E, Polyakov V, Zhu X, Tian L, Mukherjee P, Liu X
J Chem Inf Model
. 2019 Sep;
59(10):4450-4459.
PMID: 31518124
Profile-quantitative structure-activity relationship (pQSAR) is a massively multitask, two-step machine learning method with unprecedented scope, accuracy, and applicability domain. In step one, a "profile" of conventional single-assay random forest regression...
13.
Ziller M, Ortega J, Quinlan K, Santos D, Gu H, Martin E, et al.
Cell Stem Cell
. 2018 Mar;
22(4):559-574.e9.
PMID: 29551301
The somatic DNA methylation (DNAme) landscape is established early in development but remains highly dynamic within focal regions that overlap with gene regulatory elements. The significance of these dynamic changes,...
14.
Daga P, Bolger M, Haworth I, Clark R, Martin E
Mol Pharm
. 2018 Jan;
15(3):821-830.
PMID: 29337578
When medicinal chemists need to improve bioavailability (%F) within a chemical series during lead optimization, they synthesize new series members with systematically modified properties mainly by following experience and general...
15.
Daga P, Bolger M, Haworth I, Clark R, Martin E
Mol Pharm
. 2018 Jan;
15(3):831-839.
PMID: 29337562
When medicinal chemists need to improve oral bioavailability (%F) during lead optimization, they systematically modify compound properties mainly based on their own experience and general rules of thumb. However, at...
16.
Martin E, Polyakov V, Tian L, Perez R
J Chem Inf Model
. 2017 Jun;
57(8):2077-2088.
PMID: 28651433
While conventional random forest regression (RFR) virtual screening models appear to have excellent accuracy on random held-out test sets, they prove lacking in actual practice. Analysis of 18 historical virtual...
17.
Martin E, Hernandez M, Hayward L
Auton Neurosci
. 2016 Sep;
201:8-16.
PMID: 27591948
This study tested the hypothesis that orexin plays a role in the elevated pressor response to acute stress in the spontaneously hypertensive rat (SHR). The pressor response to air jet...
18.
Hayward L, Hampton E, Ferreira L, Christou D, Yoo J, Hernandez M, et al.
Neuropeptides
. 2015 Jun;
52:67-72.
PMID: 26111703
Objective: The aim of this study was to investigate the effect of chronic heart failure (HF; 16 weeks post left coronary artery ligation) on the brain's orexin (ORX) and related...
19.
Sullivan D, Martin E
J Chem Inf Model
. 2008 Apr;
48(4):817-30.
PMID: 18399649
From the perspective of 2D chemical descriptors, error in docking activity predictions is separated into noise and systematic components. This error framework explains how fitting docking scores to a 2D-QSAR...
20.
Martin E, Sullivan D
J Chem Inf Model
. 2008 Apr;
48(4):861-72.
PMID: 18380449
It has been notoriously difficult to develop general all-purpose scoring functions for high-throughput docking that correlate with measured binding affinity. As a practical alternative, AutoShim uses the program Magnet to...