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Volumn 156, Issue , 2016, Pages 1-13

Prediction of logP for Pt(II) and Pt(IV) complexes: Comparison of statistical and quantum-chemistry based approaches

(7) Tetko, Igor V a,b Varbanov, Hristo P c,d Galanski, Mathea S d Talmaciu, Mona e,f Platts, James A e Ravera, Mauro g Gabano, Elisabetta g

a INSTITUTE OF EPIDEMIOLOGY (Germany)

b BigChem GmbH (Germany)

c INSTITUTE OF CHEMICAL SCIENCES AND ENGINEERING (Switzerland)

d UNIVERSITY OF VIENNA (Austria)

e CARDIFF UNIVERSITY (United Kingdom)

f IULIU HATIEGANU UNIVERSITY OF MEDICINE AND PHARMACY (Romania)

g UNIVERSITY OF EASTERN PIEDMONT (Italy)

Author keywords

Linear regression; Lipophilicity; logP prediction; Neural networks; Pt(II) Pt(IV) complexes; Quantum chemistry calculations

Indexed keywords

OCTANOL; PLATINUM COMPLEX; WATER; LIGAND; PLATINUM;

ARTICLE; CHEMICAL BINDING; CHIRALITY; COMPLEX FORMATION; MATHEMATICAL MODEL; PARTITION COEFFICIENT; QUANTUM CHEMISTRY; CHEMICAL MODEL; CHEMISTRY; COMPARATIVE STUDY; QUANTUM THEORY;

LIGANDS; MODELS, CHEMICAL; PLATINUM; QUANTUM THEORY;

EID: 84954494338 PISSN: 01620134 EISSN: 18733344 Source Type: Journal
DOI: 10.1016/j.jinorgbio.2015.12.006 Document Type: Article

Times cited : (46)

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