Correction to Capturing the Crystal: Prediction of Enthalpy of

Correction to Capturing the Crystal: Prediction of Enthalpy of

fus rot. (6). Published: February 27, 2013. Erratum pubs.acs.org/jcim. Â© 2013 American Chemical Society. 737 dx.doi.org/10.1021/ci400111g | J. Chem.

Capturing the Crystal: Prediction of Enthalpy of Sublimation, Crystal

Dec 10, 2012 - We report robust, predictive, quantitative structureâproperty relationship (QSPR) models for enthalpies of sublimation, crystal lattice energies, and melting points for a very large and structurally diverse set of small organic compo

Capturing the Crystal: Prediction of Enthalpy of Sublimation, Crystal

Dec 10, 2012 - Capturing the Crystal: Prediction of Enthalpy of Sublimation, Crystal Lattice Energy, and Melting Points of Organic Compounds.

Correction to Capturing the Crystal: Prediction of ... - ACS Publications

Capturing the Crystal: Prediction of Enthalpy of Sublimation, Crystal Lattice Energy ... Drug hunters have spent years cutting chemical keys to fit the most obvious ...

Capturing the Crystal: Prediction of Enthalpy of ... - Semantic Scholar

Dec 10, 2012 - Given the size and diversity of the training data, these conceptually transparent and ... molecular mechanics,9 quantum mechanical calculations,10,11 quantitative .... Plot of the predicted versus experimental values of sublimation ent

Correction to Identification of Descriptors Capturing Compound Class

Feb 3, 2011 - MI-DSE(D) = Hnorm(D) r. HA(D)+ HB(D). 2. (9). Pages 1936r1939: We have noticed plotting/labeling errors in individual histograms in Figures ...


Feb 3, 2011 - Department of Life Science Informatics, B-IT, Rheinische-Friedrich-Wilhelms-UniversitÃ¤t, Dahlmannstrasse 2, D-53113 Bonn, Germany.


Department of Life Science Informatics, B-IT, Rheinische-Friedrich-Wilhelms-UniversitÃ¤t, Dahlmannstrasse 2, D-53113 Bonn, Germany. J. Chem. Inf. Model.

The Joining of Measurement and Prediction: The Enthalpy of

Feb 7, 2011 - This study is a multidisciplinary contribution to the thermochemistry of 1,4-cubanedicarboxylic acid (pentacyclo[4.2.0.02,5.03,8.04,7]octane-1,4-dicarboxylic acid). An isoperibolic static microbomb calorimeter was used to determine the

Correction to Crystal Structure of Sr0.4Ce0.4TiO3 Ceramics

Correction to Crystal Structure of Sr0.4Ce0.4TiO3 Ceramics. Rick Ubic, Ganesanpotti Subodh, Delphine Gout, Mailadil T. Sebastian and Thomas Proffen. Chem.

Correction to Capturing the Crystal: Prediction of Enthalpy of

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