Tips on using this search form
- All search terms are case-insensitive
- If you specify more than one search option (e.g. you search for both "Authors" and "Paper title") then the publications returned will be those that match all of your search terms
- To reset the search form, click here
- Currently displaying 141 - 160 of 560 publications
Associating adverse drug effects with protein targets by integrating adverse event, in vitro bioactivity, and pharmacokinetic data
(2020)
(doi: 10.17863/CAM.65132)
Neural Network Activation Similarity: A New Measure to Assist Decision Making in Chemical Toxicology
Chemical Science
(2020)
11
7335
(doi: 10.1039/d0sc01637c)
Systematic analysis of protein targets associated with adverse events of drugs from clinical trials and post-marketing reports
(2020)
2020.06.12.135939
(doi: 10.1101/2020.06.12.135939)
QSAR-derived affinity fingerprints (part 2): modeling performance for potency prediction
J Cheminform
(2020)
12
41
(doi: 10.1186/s13321-020-00444-5)
Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors.
J Am Chem Soc
(2020)
142
10358
(doi: 10.1021/jacs.9b13391)
De novo transcriptome assembly, functional annotation and characterization of the Atlantic bluefin tuna (Thunnus thynnus) larval stage
(2020)
2020.05.27.118927
(doi: 10.1101/2020.05.27.118927)
QSAR-derived affinity fingerprints (part 1): fingerprint construction and modeling performance for similarity searching, bioactivity classification and scaffold hopping.
J Cheminform
(2020)
12
39
(doi: 10.1186/s13321-020-00443-6)
Using Predicted Bioactivity Profiles to Improve Predictive Modeling.
J Chem Inf Model
(2020)
60
2830
(doi: 10.1021/acs.jcim.0c00250)
INTEGRATED NETWORK ANALYSIS USING PATIENT-SPECIFIC SINGLE NUCLEOTIDE POLYMORPHISM PROFILES UNCOVERS NEW PATHWAYS INVOLVED IN ULCERATIVE COLITIS PATHOGENESIS
GASTROENTEROLOGY
(2020)
158
S795
Predicting pKa Using a Combination of Semi-Empirical Quantum Mechanics and Radial Basis Function Methods
Journal of chemical information and modeling
(2020)
60
2989
(doi: 10.1021/acs.jcim.0c00105)
Exploring the Use of Compound-Induced Transcriptomic Data Generated From Cell Lines to Predict Compound Activity Toward Molecular Targets.
Frontiers in Chemistry
(2020)
8
296
(doi: 10.3389/fchem.2020.00296)
Computational Chemistry on a Budget: Supporting Drug Discovery with Limited Resources.
Journal of medicinal chemistry
(2020)
63
10158
(doi: 10.1021/acs.jmedchem.9b02126)
Neurochemical underpinning of hemodynamic response to neuropsychiatric drugs: A meta- and cluster analysis of preclinical studies
Journal of Cerebral Blood Flow and Metabolism
(2020)
41
874
(doi: 10.1177/0271678x20916003)
EMDIP: An Entropy Measure to Discover Important Proteins in PPI networks.
Computers in Biology and Medicine
(2020)
120
103740
Establishing GPCR Targets of hMAO Active Anthraquinones from Cassia obtusifolia Linn Seeds Using In Silico and In Vitro Methods.
ACS omega
(2020)
5
7705
(doi: 10.1021/acsomega.0c00684)
Prediction and mechanistic analysis of Drug-Induced Liver Injury (DILI) based on chemical structure
(2020)
(doi: 10.21203/rs.3.rs-16599/v1)
Computational Approaches to Identify Structural Alerts and Their Applications in Environmental Toxicology and Drug Discovery.
Chem Res Toxicol
(2020)
33
1312
In Silico Prediction of Human Renal Clearance of Compounds Using Quantitative Structure-Pharmacokinetic Relationship Models.
Chem Res Toxicol
(2020)
33
640
De novo generation of hit-like molecules from gene expression signatures using artificial intelligence
Nat Commun
(2020)
11
10
(doi: 10.1038/s41467-019-13807-w)
