Applying medicinal chemistry transformations and multiparameter optimization to guide the search for high-quality leads and candidates.

scientific article published on 18 October 2011

Applying medicinal chemistry transformations and multiparameter optimization to guide the search for high-quality leads and candidates. is …
instance of (P31):
scholarly articleQ13442814

External links are
P8978DBLP publication IDjournals/jcisd/SegallCLLMS11
P356DOI10.1021/CI2003208
P8608Fatcat IDrelease_33gb4ssj5bb7zcmrha4lsakt2q
P698PubMed publication ID21981548

P2093author name stringMatthew Segall
Brian Stevens
Ryan Lilien
Chris Leeding
Ed Champness
Ramgopal Mettu
P2860cites workDrugBank: a knowledgebase for drugs, drug actions and drug targetsQ24650300
SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rulesQ28090714
ChEMBL. An interview with John Overington, team leader, chemogenomics at the European Bioinformatics Institute Outstation of the European Molecular Biology Laboratory (EMBL-EBI). Interview by Wendy A. WarrQ33384498
P433issue11
P304page(s)2967-2976
P577publication date2011-10-18
P1433published inJournal of Chemical Information and ModelingQ3007982
P1476titleApplying medicinal chemistry transformations and multiparameter optimization to guide the search for high-quality leads and candidates.
P478volume51

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cites work (P2860)
Q26781471A Role for Fragment-Based Drug Design in Developing Novel Lead Compounds for Central Nervous System Targets
Q41363342A probabilistic method to report predictions from a human liver microsomes stability QSAR model: a practical tool for drug discovery
Q38209075Advances in multiparameter optimization methods for de novo drug design
Q39226854Alternative variables in drug discovery: promises and challenges
Q39423618Analyzing compound and project progress through multi-objective-based compound quality assessment.
Q38167262Chemical predictive modelling to improve compound quality
Q28829404Computational prediction and validation of an expert's evaluation of chemical probes
Q39664353The errors of our ways: taking account of error in computer-aided drug design to build confidence intervals for our next 25 years

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