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- Currently displaying 101 - 120 of 582 publications
Structural Insights into Notum Covalent Inhibition.
Journal of Medicinal Chemistry
(2021)
64
11354
(doi: 10.1021/acs.jmedchem.1c00701)
Identification of SARS-CoV-2–induced pathways reveals drug repurposing strategies
Science advances
(2021)
7
eabh3032
(doi: 10.1126/sciadv.abh3032)
Computational drug repositioning for ischemic stroke: neuroprotective drug discovery
Future Med Chem
(2021)
13
1271
(doi: 10.4155/fmc-2021-0022)
Transcriptional drug repositioning and cheminformatics approach for differentiation therapy of leukaemia cells
Sci Rep
(2021)
11
12537
(doi: 10.1038/s41598-021-91629-x)
Deep Learning-Based Conformal Prediction of Toxicity
J Chem Inf Model
(2021)
61
2648
(doi: 10.1021/acs.jcim.1c00208)
Ulcerative Colitis associated single nucleotide polymorphisms found in transcription factor binding sites effect key pathogenesis pathways and facilitate patient stratification
Journal of Crohn's and Colitis
(2021)
15
s045
(doi: 10.1093/ecco-jcc/jjab073.046)
Comparison of structure- and ligand-based scoring functions for deep generative models: a GPCR case study
J Cheminform
(2021)
13
39
(doi: 10.1186/s13321-021-00516-0)
Discovery of Natural Products Targeting NQO1 via an Approach Combining Network-Based Inference and Identification of Privileged Substructures
Journal of Chemical Information and Modeling
(2021)
61
2486
(doi: 10.1021/acs.jcim.1c00260)
CATMoS: Collaborative Acute Toxicity Modeling Suite
Environ Health Perspect
(2021)
129
47013
(doi: 10.1289/ehp8495)
Network-based modeling of herb combinations in traditional Chinese medicine.
Briefings in Bioinformatics
(2021)
22
bbab106
(doi: 10.1093/bib/bbab106)
A Spectroscopic Approach to Evaluate the Effects of Different Soil Tillage Methods and Nitrogen Fertilization Levels on the Biochemical Composition of Durum Wheat (Triticum turgidum subsp. durum) Leaves and Caryopses
Agriculture Switzerland
(2021)
11
321
(doi: 10.3390/agriculture11040321)
Carboxylesterase Notum Is a Druggable Target to Modulate Wnt Signaling
Journal of Medicinal Chemistry
(2021)
64
4289
(doi: 10.1021/acs.jmedchem.0c01974)
Comparison of Chemical Structure and Cell Morphology Information for Multitask Bioactivity Predictions.
Journal of chemical information and modeling
(2021)
61
1444
(doi: 10.1021/acs.jcim.0c00864)
Structure‐based identification of dual ligands at the A2AR and PDE10A with anti‐proliferative effects in lung cancer cell‐lines
Journal of cheminformatics
(2021)
13
17
(doi: 10.1186/s13321-021-00492-5)
Comparison of Structure- and Ligand-Based Scoring Functions for Deep Generative Models: A GPCR Case Study
(2021)
Assessing the Calibration in Toxicological in Vitro Models with Conformal Prediction
(2021)
(doi: 10.21203/rs.3.rs-220364/v1)
Combination of Ginsenosides Rb2 and Rg3 Promotes Angiogenic Phenotype of Human Endothelial Cells via PI3K/Akt and MAPK/ERK Pathways
Frontiers in pharmacology
(2021)
12
618773
(doi: 10.3389/fphar.2021.618773)
Comparison of Cellular Morphological Descriptors and Molecular Fingerprints for the Prediction of Cytotoxicity- and Proliferation-Related Assays.
Chemical research in toxicology
(2021)
34
422
Artificial intelligence in drug discovery: what is realistic, what are illusions? Part 2: a discussion of chemical and biological data.
Drug discovery today
(2021)
26
1040
(doi: 10.1016/j.drudis.2020.11.037)
A demonstration of improved constraints on primordial gravitational waves with delensing
Physical Review D
(2021)
103
022004
(doi: 10.1103/physrevd.103.022004)