Detalhe da pesquisa
1.
Comparative studies of AlphaFold, RoseTTAFold and Modeller: a case study involving the use of G-protein-coupled receptors.
Brief Bioinform
; 23(5)2022 09 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-35945035
2.
Ensemble modeling with machine learning and deep learning to provide interpretable generalized rules for classifying CNS drugs with high prediction power.
Brief Bioinform
; 23(1)2022 01 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-34530437
3.
Current development of integrated web servers for preclinical safety and pharmacokinetics assessments in drug development.
Brief Bioinform
; 22(3)2021 05 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-32770190
4.
PanGPCR: predictions for multiple targets, repurposing and side effects.
Bioinformatics
; 37(8): 1184-1186, 2021 05 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-32915954
5.
Taiwan Controlled Substances Database.
J Formos Med Assoc
; 121(12): 2649-2652, 2022 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-36031487
6.
NP-StructurePredictor: Prediction of Unknown Natural Products in Plant Mixtures.
J Chem Inf Model
; 57(12): 3138-3148, 2017 12 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-29131618
7.
CypRules: a rule-based P450 inhibition prediction server.
Bioinformatics
; 31(11): 1869-71, 2015 Jun 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-25617412
8.
Exploring possible mechanisms of action for the nanotoxicity and protein binding of decorated nanotubes: interpretation of physicochemical properties from optimal QSAR models.
Toxicol Appl Pharmacol
; 288(1): 52-62, 2015 Oct 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-26200234
9.
Rule-based classification models of molecular autofluorescence.
J Chem Inf Model
; 55(2): 434-45, 2015 Feb 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-25625768
10.
Rule-Based Prediction Models of Cytochrome P450 Inhibition.
J Chem Inf Model
; 55(7): 1426-34, 2015 Jul 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-26108525
11.
Dependence of QSAR models on the selection of trial descriptor sets: a demonstration using nanotoxicity endpoints of decorated nanotubes.
J Chem Inf Model
; 53(1): 142-58, 2013 Jan 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-23252880
12.
Template-based de novo design for type II kinase inhibitors and its extented application to acetylcholinesterase inhibitors.
Molecules
; 18(11): 13487-509, 2013 Oct 31.
Artigo
em Inglês
| MEDLINE | ID: mdl-24184819
13.
Predictive toxicology modeling: protocols for exploring hERG classification and Tetrahymena pyriformis end point predictions.
J Chem Inf Model
; 52(6): 1660-73, 2012 Jun 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-22642982
14.
A comprehensive support vector machine binary hERG classification model based on extensive but biased end point hERG data sets.
Chem Res Toxicol
; 24(6): 934-49, 2011 Jun 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-21504223
15.
In silico binary classification QSAR models based on 4D-fingerprints and MOE descriptors for prediction of hERG blockage.
J Chem Inf Model
; 50(7): 1304-18, 2010 Jul 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-20565102
16.
Human Breathomics Database.
Database (Oxford)
; 20202020 01 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-31976536
17.
REMUS: a tool for identification of unique peptide segments as epitopes.
Nucleic Acids Res
; 34(Web Server issue): W198-201, 2006 Jul 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-16844991
18.
G.A.M.E.: GPU-accelerated mixture elucidator.
J Cheminform
; 9(1): 50, 2017 Sep 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-29086161
19.
An efficient computer-aided structural elucidation strategy for mixtures using an iterative dynamic programming algorithm.
J Cheminform
; 9(1): 57, 2017 Nov 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-29143270
20.
A reinforced merging methodology for mapping unique peptide motifs in members of protein families.
BMC Bioinformatics
; 7: 38, 2006 Jan 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-16433931