Related references
Note: Only part of the references are listed.Finding Constellations in Chemical Space Through Core Analysis
J. Jesus Naveja et al.
FRONTIERS IN CHEMISTRY (2019)
Reaching for the bright StARs in chemical space
Jose L. Medina-Franco et al.
DRUG DISCOVERY TODAY (2019)
A general approach for retrosynthetic molecular core analysis
J. Jesus Naveja et al.
JOURNAL OF CHEMINFORMATICS (2019)
PubChem 2019 update: improved access to chemical data
Sunghwan Kim et al.
NUCLEIC ACIDS RESEARCH (2019)
Systematic Extraction of Analogue Series from Large Compound Collections Using a New Computational Compound-Core Relationship Method
J. Jesus Naveja et al.
ACS OMEGA (2019)
Getting SMARt in drug discovery: chemoinformatics approaches for mining structure-multiple activity relationships
Fernanda I. Saldivar-Gonzalez et al.
RSC ADVANCES (2017)
Application of a New Scaffold Concept for Computational Target Deconvolution of Chemical Cancer Cell Line Screens
Ryo Kunimoto et al.
ACS OMEGA (2017)
Prediction of anticancer molecules using hybrid model developed on molecules screened against NCI-60 cancer cell lines
Harinder Singh et al.
BMC CANCER (2016)
Computational Method for the Systematic Identification of Analog Series and Key Compounds Representing Series and Their Biological Activity Profiles
Dagmar Stumpfe et al.
JOURNAL OF MEDICINAL CHEMISTRY (2016)
Analog series-based scaffolds: computational design and exploration of a new type of molecular scaffolds for medicinal chemistry
Dilyana Dimova et al.
FUTURE SCIENCE OA (2016)
Machine-learning approaches in drug discovery: methods and applications
Antonio Lavecchia
DRUG DISCOVERY TODAY (2015)
ZINC 15-Ligand Discovery for Everyone
Teague Sterling et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2015)
CDRUG: a web server for predicting anticancer activity of chemical compounds
Gong-Hua Li et al.
BIOINFORMATICS (2012)
CellMiner: A Web-Based Suite of Genomic and Pharmacologic Tools to Explore Transcript and Drug Patterns in the NCI-60 Cell Line Set
William C. Reinhold et al.
CANCER RESEARCH (2012)
Comparison of structure fingerprint and molecular interaction field based methods in explaining biological similarity of small molecules in cell-based screens
Pekka Tiikkainen et al.
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2009)
DNA fingerprinting of the NCI-60 cell line panel
Philip L. Lorenzi et al.
MOLECULAR CANCER THERAPEUTICS (2009)
Scaffold Diversity Analysis of Compound Daft Sets Using an Entropy-Based Measure
Jose L. Medina-Franco et al.
QSAR & COMBINATORIAL SCIENCE (2009)
Chemoinformatic analysis of NCI preclinical tumor data: Evaluating compound efficacy from mouse xenograft data, NCI-60 screening data, and compound descriptors
Anders Wallqvist et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2007)
The NCI60 human tumour cell line anticancer drug screen
Robert H. Shoemaker
NATURE REVIEWS CANCER (2006)
Share Paper
