Published in J Cheminform on January 10, 2011
Identification of a μ-δ opioid receptor heteromer-biased agonist with antinociceptive activity. Proc Natl Acad Sci U S A (2013) 1.34
Are phylogenetic trees suitable for chemogenomics analyses of bioactivity data sets: the importance of shared active compounds and choosing a suitable data embedding method, as exemplified on Kinases. J Cheminform (2013) 0.79
Structure-based virtual screening of small-molecule antagonists of platelet integrin αIIbβ3 that do not prime the receptor to bind ligand. J Comput Aided Mol Des (2012) 0.79
Inferring multi-target QSAR models with taxonomy-based multi-task learning. J Cheminform (2013) 0.76
Examining the predictive accuracy of the novel 3D N-linear algebraic molecular codifications on benchmark datasets. J Cheminform (2016) 0.75
ExCAPE-DB: an integrated large scale dataset facilitating Big Data analysis in chemogenomics. J Cheminform (2017) 0.75
Prediction of anticancer molecules using hybrid model developed on molecules screened against NCI-60 cancer cell lines. BMC Cancer (2016) 0.75
A ranking method for the concurrent learning of compounds with various activity profiles. J Cheminform (2015) 0.75
ChemDes: an integrated web-based platform for molecular descriptor and fingerprint computation. J Cheminform (2015) 0.75
Improved pose and affinity predictions using different protocols tailored on the basis of data availability. J Comput Aided Mol Des (2016) 0.75
The Chemistry Development Kit (CDK): an open-source Java library for Chemo- and Bioinformatics. J Chem Inf Comput Sci (2003) 10.73
Recent developments of the chemistry development kit (CDK) - an open-source java library for chemo- and bioinformatics. Curr Pharm Des (2006) 7.05
Extended-connectivity fingerprints. J Chem Inf Model (2010) 5.50
ChemDB: a public database of small molecules and related chemoinformatics resources. Bioinformatics (2005) 2.16
Benchmark data set for in silico prediction of Ames mutagenicity. J Chem Inf Model (2009) 2.15
Protein function prediction via graph kernels. Bioinformatics (2005) 2.07
Graph kernels for chemical informatics. Neural Netw (2005) 1.86
"Scaffold-Hopping" by Topological Pharmacophore Search: A Contribution to Virtual Screening. Angew Chem Int Ed Engl (1999) 1.74
Similarity searching of chemical databases using atom environment descriptors (MOLPRINT 2D): evaluation of performance. J Chem Inf Comput Sci (2004) 1.52
Kernels for small molecules and the prediction of mutagenicity, toxicity and anti-cancer activity. Bioinformatics (2005) 1.47
A comparison of methods for modeling quantitative structure-activity relationships. J Med Chem (2004) 1.36
The pharmacophore kernel for virtual screening with support vector machines. J Chem Inf Model (2006) 1.12
Optimal assignment methods for ligand-based virtual screening. J Cheminform (2009) 1.03
Large scale study of multiple-molecule queries. J Cheminform (2009) 0.95
SHED: Shannon entropy descriptors from topological feature distributions. J Chem Inf Model (2006) 0.92
Molecular surface point environments for virtual screening and the elucidation of binding patterns (MOLPRINT 3D). J Med Chem (2004) 0.89
Atomic local neighborhood flexibility incorporation into a structured similarity measure for QSAR. J Chem Inf Model (2009) 0.87
Screening for dihydrofolate reductase inhibitors using MOLPRINT 2D, a fast fragment-based method employing the naïve Bayesian classifier: limitations of the descriptor and the importance of balanced chemistry in training and test sets. J Biomol Screen (2005) 0.86
Estimation of the applicability domain of kernel-based machine learning models for virtual screening. J Cheminform (2010) 0.81
Prevention of mother-to-child transmission of HIV and the health-related Millennium Development Goals: time for a public health approach. Lancet (2011) 5.00
Electronic medical record systems, data quality and loss to follow-up: survey of antiretroviral therapy programmes in resource-limited settings. Bull World Health Organ (2008) 3.85
Using touchscreen electronic medical record systems to support and monitor national scale-up of antiretroviral therapy in Malawi. PLoS Med (2010) 3.53
WNT1-inducible signaling protein-1 mediates pulmonary fibrosis in mice and is upregulated in humans with idiopathic pulmonary fibrosis. J Clin Invest (2009) 3.33
Switching to second-line antiretroviral therapy in resource-limited settings: comparison of programmes with and without viral load monitoring. AIDS (2009) 2.75
Assessing the quality of data aggregated by antiretroviral treatment clinics in Malawi. Bull World Health Organ (2008) 2.62
Population-level reduction in adult mortality after extension of free anti-retroviral therapy provision into rural areas in northern Malawi. PLoS One (2010) 2.36
Early active follow-up of patients on antiretroviral therapy (ART) who are lost to follow-up: the 'Back-to-Care' project in Lilongwe, Malawi. Trop Med Int Health (2010) 2.28
Outcome assessment of decentralization of antiretroviral therapy provision in a rural district of Malawi using an integrated primary care model. Trop Med Int Health (2010) 2.19
Estimating the need for antiretroviral treatment and an assessment of a simplified HIV/AIDS case definition in rural Malawi. AIDS (2007) 1.93
Scaling up antiretroviral therapy in Malawi-implications for managing other chronic diseases in resource-limited countries. J Acquir Immune Defic Syndr (2009) 1.91
Profile: the Karonga Health and Demographic Surveillance System. Int J Epidemiol (2012) 1.85
A national survey of teachers on antiretroviral therapy in Malawi: access, retention in therapy and survival. PLoS One (2007) 1.80
JSBML: a flexible Java library for working with SBML. Bioinformatics (2011) 1.73
SBMLsqueezer: a CellDesigner plug-in to generate kinetic rate equations for biochemical networks. BMC Syst Biol (2008) 1.71
A national survey of the impact of rapid scale-up of antiretroviral therapy on health-care workers in Malawi: effects on human resources and survival. Bull World Health Organ (2007) 1.53
What happens to ART-eligible patients who do not start ART? Dropout between screening and ART initiation: a cohort study in Karonga, Malawi. BMC Public Health (2010) 1.51
Mortality and loss to follow-up in the first year of ART: Malawi national ART programme. AIDS (2012) 1.50
Adapting the DOTS framework for tuberculosis control to the management of non-communicable diseases in sub-Saharan Africa. PLoS Med (2008) 1.49
Diagnosis and management of antiretroviral-therapy failure in resource-limited settings in sub-Saharan Africa: challenges and perspectives. Lancet Infect Dis (2010) 1.47
Gender differences in retention and survival on antiretroviral therapy of HIV-1 infected adults in Malawi. Malawi Med J (2010) 1.46
KEGGtranslator: visualizing and converting the KEGG PATHWAY database to various formats. Bioinformatics (2011) 1.46
Comparison of treatment outcomes of new smear-positive pulmonary tuberculosis patients by HIV and antiretroviral status in a TB/HIV clinic, Malawi. PLoS One (2013) 1.43
Individual, household and community factors associated with HIV test refusal in rural Malawi. Trop Med Int Health (2008) 1.41
Different delivery models for antiretroviral therapy in sub-Saharan Africa in the context of 'universal access'. Trans R Soc Trop Med Hyg (2008) 1.40
Adult mortality and probable cause of death in rural northern Malawi in the era of HIV treatment. Trop Med Int Health (2012) 1.38
Are they really lost? "true" status and reasons for treatment discontinuation among HIV infected patients on antiretroviral therapy considered lost to follow up in Urban Malawi. PLoS One (2013) 1.32
EDISA: extracting biclusters from multiple time-series of gene expression profiles. BMC Bioinformatics (2007) 1.31
Path2Models: large-scale generation of computational models from biochemical pathway maps. BMC Syst Biol (2013) 1.29
SBML2L(A)T(E)X: conversion of SBML files into human-readable reports. Bioinformatics (2009) 1.24
Is Option B+ the best choice? Lancet (2013) 1.24
Preanalytical aspects and sample quality assessment in metabolomics studies of human blood. Clin Chem (2013) 1.24
The vital signs of chronic disease management. Trans R Soc Trop Med Hyg (2009) 1.24
Antiretroviral drug supply challenges in the era of scaling up ART in Malawi. J Int AIDS Soc (2011) 1.22
The angiotensin II receptor 2 is expressed and mediates angiotensin II signaling in lung fibrosis. Am J Respir Cell Mol Biol (2007) 1.15
Precise generation of systems biology models from KEGG pathways. BMC Syst Biol (2013) 1.11
Incidence of pregnancy among women accessing antiretroviral therapy in urban Malawi: a retrospective cohort study. AIDS Behav (2013) 1.10
Prevalence of HIV drug resistance before and 1 year after treatment initiation in 4 sites in the Malawi antiretroviral treatment program. Clin Infect Dis (2012) 1.10
Improving data quality and supervision of antiretroviral therapy sites in Malawi: an application of Lot Quality Assurance Sampling. BMC Health Serv Res (2012) 1.08
Loss of mitochondrial peptidase Clpp leads to infertility, hearing loss plus growth retardation via accumulation of CLPX, mtDNA and inflammatory factors. Hum Mol Genet (2013) 1.03
Optimal assignment methods for ligand-based virtual screening. J Cheminform (2009) 1.03
Bacterial meningitis in Malawian adults, adolescents, and children during the era of antiretroviral scale-up and Haemophilus influenzae type b vaccination, 2000-2012. Clin Infect Dis (2014) 1.02
Implication of new WHO growth standards on identification of risk factors and estimated prevalence of malnutrition in rural Malawian infants. PLoS One (2008) 1.01
TDP-43 regulates global translational yield by splicing of exon junction complex component SKAR. Nucleic Acids Res (2011) 1.01
Modeling metabolic networks in C. glutamicum: a comparison of rate laws in combination with various parameter optimization strategies. BMC Syst Biol (2009) 0.99
Qualitative translation of relations from BioPAX to SBML qual. Bioinformatics (2012) 0.98
Automated label-free quantification of metabolites from liquid chromatography-mass spectrometry data. Mol Cell Proteomics (2013) 0.98
Antiretroviral therapy in the Malawi defence force: access, treatment outcomes and impact on mortality. PLoS One (2008) 0.96
Prediction of breast cancer by profiling of urinary RNA metabolites using Support Vector Machine-based feature selection. BMC Cancer (2009) 0.96
Use of antenatal clinic surveillance to assess the effect of sexual behavior on HIV prevalence in young women in Karonga district, Malawi. J Acquir Immune Defic Syndr (2008) 0.96
How operational research influenced the scale up of antiretroviral therapy in Malawi. Health Care Manag Sci (2011) 0.95
Re-treatment tuberculosis cases categorised as "other": are they properly managed? PLoS One (2011) 0.94
Timing of antiretroviral therapy and regimen for HIV-infected patients with tuberculosis: the effect of revised HIV guidelines in Malawi. BMC Public Health (2014) 0.94
Metabonomics in cancer diagnosis: mass spectrometry-based profiling of urinary nucleosides from breast cancer patients. Biomarkers (2008) 0.93
Identification of Dlk1-Dio3 imprinted gene cluster noncoding RNAs as novel candidate biomarkers for liver tumor promotion. Toxicol Sci (2012) 0.92
Operational research in Malawi: making a difference with cotrimoxazole preventive therapy in patients with tuberculosis and HIV. BMC Public Health (2011) 0.92
Simplifying ART cohort monitoring: can pharmacy stocks provide accurate estimates of patients retained on antiretroviral therapy in Malawi? BMC Health Serv Res (2012) 0.92
Interpreting linear support vector machine models with heat map molecule coloring. J Cheminform (2011) 0.91
Heterogeneous classifier fusion for ligand-based virtual screening: or, how decision making by committee can be a good thing. J Chem Inf Model (2013) 0.91
Targeting peptide termini, a novel immunoaffinity approach to reduce complexity in mass spectrometric protein identification. Mol Cell Proteomics (2010) 0.90
Brief Report: HIV Testing Among Pregnant Women Who Attend Antenatal Care in Malawi. J Acquir Immune Defic Syndr (2015) 0.90
Use of support vector machines for disease risk prediction in genome-wide association studies: concerns and opportunities. Hum Mutat (2012) 0.89
Ha-ras and β-catenin oncoproteins orchestrate metabolic programs in mouse liver tumors. Int J Cancer (2014) 0.89
The systems biology simulation core algorithm. BMC Syst Biol (2013) 0.88
Circulating lysophosphatidylcholines are markers of a metabolically benign nonalcoholic fatty liver. Diabetes Care (2013) 0.88
An appraisal of indicators used to monitor the treated population in antiretroviral programmes in low-income countries. AIDS (2010) 0.88
Bioinformatical evaluation of modified nucleosides as biomedical markers in diagnosis of breast cancer. Anal Chim Acta (2008) 0.88
Ongoing coxsackievirus myocarditis is associated with increased formation and activity of myocardial immunoproteasomes. Am J Pathol (2006) 0.88
Atomic local neighborhood flexibility incorporation into a structured similarity measure for QSAR. J Chem Inf Model (2009) 0.87
Very early anthropometric changes after antiretroviral therapy predict subsequent survival, in karonga, Malawi. Open AIDS J (2012) 0.87
Applicability of different hydraulic parameters to describe soil detachment in eroding rills. PLoS One (2013) 0.86
A national survey of prisoners on antiretroviral therapy in Malawi: access to treatment and outcomes on therapy. J Infect Dev Ctries (2007) 0.86
Screening for protein-DNA interactions by automatable DNA-protein interaction ELISA. PLoS One (2013) 0.86
Linking the epigenome to the genome: correlation of different features to DNA methylation of CpG islands. PLoS One (2012) 0.85
Controlled self-assembly of monodisperse niosomes by microfluidic hydrodynamic focusing. Langmuir (2010) 0.85
Optimal selection of epitopes for TXP-immunoaffinity mass spectrometry. Algorithms Mol Biol (2010) 0.85
BowTieBuilder: modeling signal transduction pathways. BMC Syst Biol (2009) 0.84
Feature selection for descriptor based classification models. 1. Theory and GA-SEC algorithm. J Chem Inf Comput Sci (2004) 0.83
Transcriptional regulation by BglJ-RcsB, a pleiotropic heteromeric activator in Escherichia coli. Nucleic Acids Res (2013) 0.83
Large-scale learning of structure-activity relationships using a linear support vector machine and problem-specific metrics. J Chem Inf Model (2011) 0.83
Feature selection for descriptor based classification models. 2. Human intestinal absorption (HIA). J Chem Inf Comput Sci (2004) 0.83
Inferring statin-induced gene regulatory relationships in primary human hepatocytes. Bioinformatics (2011) 0.83
Health leadership in sub-Saharan Africa. Trop Doct (2009) 0.81
Antiretroviral therapy in the Malawi police force: access to therapy and treatment outcomes. Malawi Med J (2008) 0.81
Estimation of the applicability domain of kernel-based machine learning models for virtual screening. J Cheminform (2010) 0.81
Integrative pathway-based approach for genome-wide association studies: identification of new pathways for rheumatoid arthritis and type 1 diabetes. PLoS One (2013) 0.80
A factorization method for the classification of infrared spectra. BMC Bioinformatics (2010) 0.80
Prediction of aqueous solubility and partition coefficient optimized by a genetic algorithm based descriptor selection method. J Chem Inf Comput Sci (2003) 0.80
Differential effects of smoking and COPD upon circulating myeloid derived suppressor cells. Respir Med (2013) 0.80
Magnetic connectors for microfluidic applications. Lab Chip (2009) 0.80