Heterogeneous classifier fusion for ligand-based virtual screening: or, how decision making by committee can be a good thing.

scientific article published on 14 November 2013

Heterogeneous classifier fusion for ligand-based virtual screening: or, how decision making by committee can be a good thing. is …
instance of (P31):
scholarly articleQ13442814

External links are
P8978DBLP publication IDjournals/jcisd/RinikerFL13
P356DOI10.1021/CI400466R
P698PubMed publication ID24171408

P50authorSereina RinikerQ24013775
Gregory A. LandrumQ42716526
P2093author name stringNikolas Fechner
P2860cites workOptimal assignment methods for ligand-based virtual screeningQ27998698
Open-source platform to benchmark fingerprints for ligand-based virtual screeningQ28681290
Making sure there's a "give" associated with the "take": producing and using open-source software in big pharma.Q55416981
P433issue11
P921main subjectdecision makingQ1331926
virtual screeningQ4112105
P304page(s)2829-2836
P577publication date2013-11-14
P1433published inJournal of Chemical Information and ModelingQ3007982
P1476titleHeterogeneous classifier fusion for ligand-based virtual screening: or, how decision making by committee can be a good thing.
P478volume53

Reverse relations

cites work (P2860)
Q35838408An overview of molecular fingerprint similarity search in virtual screening
Q35254424CFam: a chemical families database based on iterative selection of functional seeds and seed-directed compound clustering
Q39198542Condorcet and borda count fusion method for ligand-based virtual screening
Q36066303Connecting proteins with drug-like compounds: Open source drug discovery workflows with BindingDB and KNIME.
Q27902259Filtered circular fingerprints improve either prediction or runtime performance while retaining interpretability
Q92490658Idea2Data: Toward a New Paradigm for Drug Discovery
Q28597594MetMaxStruct: A Tversky-Similarity-Based Strategy for Analysing the (Sub)Structural Similarities of Drugs and Endogenous Metabolites
Q45943415Methods for Virtual Screening of GPCR Targets: Approaches and Challenges.
Q112621355QSAR-derived affinity fingerprints (part 1): fingerprint construction and modeling performance for similarity searching, bioactivity classification and scaffold hopping
Q45950111ROCS-derived features for virtual screening.
Q40605856Understanding the foundations of the structural similarities between marketed drugs and endogenous human metabolites
Q41588963Virtual-screening workflow tutorials and prospective results from the Teach-Discover-Treat competition 2014 against malaria

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