Privileged substructures for anti-sickling activity via cheminformatic analysis

Sickle Cell Disease

(2017) Frédéric B. Piel et al.   NEW ENGLAND JOURNAL OF MEDICINE

QuBiLS-MAS, open source multi-platform software for atom- and bond-based topological (2D) and chiral (2.5D) algebraic molecular descriptors computations

(2017) José R. Valdés-Martiní et al.   Journal of Cheminformatics

Unraveling the origin of splice switching activity of hemoglobin β-globin gene modulators via QSAR modeling

(2016) Saw Simeon et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

Crises in Sickle Cell Disease

(2016) Enrico M. Novelli et al.   CHEST

Beyond Rotatable Bond Counts: Capturing 3D Conformational Flexibility in a Single Descriptor

(2016) Jerome G. P. Wicker et al.   Journal of Chemical Information and Modeling

Potential of Three Ethnomedicinal Plants as Antisickling Agents

(2016) Ismaila O. Nurain et al.   MOLECULAR PHARMACEUTICS

BioTriangle: a web-accessible platform for generating various molecular representations for chemicals, proteins, DNAs/RNAs and their interactions

(2016) Jie Dong et al.   Journal of Cheminformatics

New Look at Hemoglobin Allostery

(2015) Yue Yuan et al.   CHEMICAL REVIEWS

ChemDes: an integrated web-based platform for molecular descriptor and fingerprint computation

(2015) Jie Dong et al.   Journal of Cheminformatics

Gene Therapy for Hemoglobinopathies

(2014) Shanmuganathan Chandrakasan et al.   HEMATOLOGY-ONCOLOGY CLINICS OF NORTH AMERICA

QuBiLS-MIDAS: A parallel free-software for molecular descriptors computation based on multilinear algebraic maps

(2014) César R. García-Jacas et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

ChemoPy: freely available python package for computational biology and chemoinformatics

(2013) Dong-Sheng Cao et al.   BIOINFORMATICS

Hydroxyurea in Sickle Cell Disease: Drug Review

(2013) Rohit Kumar Agrawal et al.   INDIAN JOURNAL OF HEMATOLOGY AND BLOOD TRANSFUSION

PyDPI: Freely Available Python Package for Chemoinformatics, Bioinformatics, and Chemogenomics Studies

(2013) Dong-Sheng Cao et al.   Journal of Chemical Information and Modeling

Data Set Modelability by QSAR

(2013) Alexander Golbraikh et al.   Journal of Chemical Information and Modeling

Hematopoietic Stem Cell Transplantation in Thalassemia and Sickle Cell Anemia

(2013) G. Lucarelli et al.   Cold Spring Harbor Perspectives in Medicine

Classification of the Disorders of Hemoglobin

(2013) B. G. Forget et al.   Cold Spring Harbor Perspectives in Medicine

Directory of Useful Decoys, Enhanced (DUD-E): Better Ligands and Decoys for Better Benchmarking

(2012) Michael M. Mysinger et al.   JOURNAL OF MEDICINAL CHEMISTRY

Comparison of Different Approaches to Define the Applicability Domain of QSAR Models

(2012) Faizan Sahigara et al.   MOLECULES

pROC: an open-source package for R and S+ to analyze and compare ROC curves

(2011) Xavier Robin et al.   BMC BIOINFORMATICS

Letter to the Editor: Stability of Random Forest importance measures

(2010) M. L. Calle et al.   BRIEFINGS IN BIOINFORMATICS

Advances in computational methods to predict the biological activity of compounds

(2010) Chanin Nantasenamat et al.   Expert Opinion on Drug Discovery

Trust, But Verify: On the Importance of Chemical Structure Curation in Cheminformatics and QSAR Modeling Research

(2010) Denis Fourches et al.   Journal of Chemical Information and Modeling

PaDEL-descriptor: An open source software to calculate molecular descriptors and fingerprints

(2010) Chun Wei Yap   JOURNAL OF COMPUTATIONAL CHEMISTRY

Chemical substructures that enrich for biological activity

(2008) Justin Klekota et al.   BIOINFORMATICS

Hemoglobin research and the origins of molecular medicine

(2008) A. N. Schechter   BLOOD