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- Currently displaying 101 - 120 of 582 publications
Identification of SARS-CoV-2-induced pathways reveals drug repurposing strategies.
Sci Adv
(2021)
7
eabh3032
(doi: 10.1126/sciadv.abh3032)
Computational drug repositioning for ischemic stroke: neuroprotective drug discovery
Future medicinal chemistry
(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)
DOP07 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)
Deep Learning-Based Conformal Prediction of Toxicity.
Journal of chemical information and modeling
(2021)
61
2648
(doi: 10.1021/acs.jcim.1c00208)
Comparison of structure- and ligand-based scoring functions for deep generative models: a GPCR case study.
Journal of Cheminformatics
(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
Environmental Health Perspectives
(2021)
129
047013
(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.
J Med Chem
(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.
J Cheminform
(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
Front Pharmacol
(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 Discov 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)
Towards understanding antimicrobial activity, cytotoxicity and the mode of action of dichapetalins A and M using in silico and in vitro studies.
Toxicon : official journal of the International Society on Toxinology
(2021)
193
28