Web-based cheminformatics and molecular property prediction tools supporting drug design and development at Novartis

scientific article published on October 2003

Web-based cheminformatics and molecular property prediction tools supporting drug design and development at Novartis is …
instance of (P31):
review articleQ7318358
scholarly articleQ13442814

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P356DOI10.1080/10629360310001673917
P698PubMed publication ID14758976

P50authorPeter ErtlQ27768873
P2093author name stringSelzer P
Rohde B
Mühlbacher J
P2860cites workMolecular properties that influence the oral bioavailability of drug candidatesQ34130727
ADMET in silico modelling: towards prediction paradise?Q35075770
Lipophilicity force field profile: an expressive visualization of the lipophilicity molecular potential gradient.Q52473295
Cheminformatics Analysis of Organic Substituents:  Identification of the Most Common Substituents, Calculation of Substituent Properties, and Automatic Identification of Drug-like Bioisosteric GroupsQ56032354
Simple Quantum Chemical Parameters as an Alternative to the Hammett Sigma Constants in QSAR StudiesQ56919111
WWW-based chemical information systemQ56919117
Handbook of Molecular DescriptorsQ62968825
Atomic physicochemical parameters for three dimensional structure directed quantitative structure-activity relationships. 4. Additional parameters for hydrophobic and dispersive interactions and their application for an automated superposition of ...Q108523054
Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport PropertiesQ28842810
World Wide Web-based system for the calculation of substituent parameters and substituent similarity searchesQ31995260
P433issue5-6
P921main subjectcheminformaticsQ910164
molecular designQ55213915
P304page(s)321-328
P577publication date2003-10-01
P1433published inSAR and QSAR in Environmental ResearchQ15724562
P1476titleWeb-based cheminformatics and molecular property prediction tools supporting drug design and development at Novartis
P478volume14

Reverse relations

cites work (P2860)
Q43651398Computational assessment of the environmental fate, bioaccumulation, and toxicity potential of brominated benzylpolystyrene
Q56916523Computing chemistry on the web
Q33426083Evaluation of the in vitro skin permeation of antiviral drugs from penciclovir 1% cream and acyclovir 5% cream used to treat herpes simplex virus infection
Q27702175JSME: a free molecule editor in JavaScript
Q57186127Molecular dynamic simulations of the metallo-beta-lactamase from Bacteroides fragilis in the presence and absence of a tight-binding inhibitor
Q27499199Molecular structure input on the web
Q26863371Non-systemic drugs: a critical review
Q33236305Optimizing the use of open-source software applications in drug discovery
Q56918982Polar Surface Area
Q56919051Web-based cheminformatics tools deployed via corporate Intranets
Q30485497Web-based services for drug design and discovery

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