Detalhe da pesquisa
1.
Synthesis of 6'-galactosyllactose, a deviant human milk oligosaccharide, with the aid of Candida antarctica lipase-B.
Org Biomol Chem
; 20(23): 4724-4735, 2022 06 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-35612321
2.
Machine Learning Quantitative Structure-Property Relationships as a Function of Ionic Liquid Cations for the Gas-Ionic Liquid Partition Coefficient of Hydrocarbons.
Int J Mol Sci
; 23(14)2022 Jul 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-35886881
3.
A role of flavonoids in cytochrome c-cardiolipin interactions.
Bioorg Med Chem
; 33: 116043, 2021 03 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-33530021
4.
Combined Naïve Bayesian, Chemical Fingerprints and Molecular Docking Classifiers to Model and Predict Androgen Receptor Binding Data for Environmentally- and Health-Sensitive Substances.
Int J Mol Sci
; 22(13)2021 Jun 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-34206613
5.
Natural Variation in Arabidopsis Cvi-0 Accession Reveals an Important Role of MPK12 in Guard Cell CO2 Signaling.
PLoS Biol
; 14(12): e2000322, 2016 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-27923039
6.
Logistic Classification Models for pH-Permeability Profile: Predicting Permeability Classes for the Biopharmaceutical Classification System.
J Chem Inf Model
; 59(5): 2442-2455, 2019 05 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-30790522
7.
QSAR modeling and chemical space analysis of antimalarial compounds.
J Comput Aided Mol Des
; 31(5): 441-451, 2017 May.
Artigo
em Inglês
| MEDLINE | ID: mdl-28374255
8.
Design, discovery, modelling, synthesis, and biological evaluation of novel and small, low toxicity s-triazine derivatives as HIV-1 non-nucleoside reverse transcriptase inhibitors.
Bioorg Med Chem
; 24(11): 2519-29, 2016 06 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-27108399
9.
In Silico Mining for Antimalarial Structure-Activity Knowledge and Discovery of Novel Antimalarial Curcuminoids.
Molecules
; 21(7)2016 Jun 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-27367660
10.
Improving the use of ranking in virtual screening against HIV-1 integrase with triangular numbers and including ligand profiling with antitargets.
J Chem Inf Model
; 54(11): 3172-85, 2014 Nov 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-25303089
11.
From data point timelines to a well curated data set, data mining of experimental data and chemical structure data from scientific articles, problems and possible solutions.
J Comput Aided Mol Des
; 27(7): 583-603, 2013 Jul.
Artigo
em Inglês
| MEDLINE | ID: mdl-23884706
12.
DrugLogit: logistic discrimination between drugs and nondrugs including disease-specificity by assigning probabilities based on molecular properties.
J Chem Inf Model
; 52(8): 2165-80, 2012 Aug 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-22830445
13.
Intrinsic Aqueous Solubility: Mechanistically Transparent Data-Driven Modeling of Drug Substances.
Pharmaceutics
; 14(10)2022 Oct 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-36297685
14.
Combined approach using ligand efficiency, cross-docking, and antitarget hits for wild-type and drug-resistant Y181C HIV-1 reverse transcriptase.
J Chem Inf Model
; 51(10): 2595-611, 2011 Oct 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-21875140
15.
Binary and multi-class classification for androgen receptor agonists, antagonists and binders.
Chemosphere
; 262: 128313, 2021 Jan.
Artigo
em Inglês
| MEDLINE | ID: mdl-33182081
16.
ELIXIR and Toxicology: a community in development.
F1000Res
; 102021.
Artigo
em Inglês
| MEDLINE | ID: mdl-37842337
17.
Drug efficiency indices for improvement of molecular docking scoring functions.
J Comput Chem
; 31(1): 174-84, 2010 Jan 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-19422000
18.
A general treatment of solubility 4. Description and analysis of a PCA model for ostwald solubility coefficients.
J Chem Inf Model
; 50(7): 1275-83, 2010 Jul 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-20593816
19.
CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity.
Environ Health Perspect
; 128(2): 27002, 2020 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-32074470
20.
Structure-based calculation of drug efficiency indices.
Bioinformatics
; 23(20): 2678-85, 2007 Oct 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-17804436