#moleculardescriptors search results

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips ISH – GETAWAY descriptor has been proposed in "Structure/Response Correlations and Similarity/Diversity Analysis by..." doi.org/10.1021/ci0155… via @JCIM_JCTC Check #alvaDesc at: alvascience.com/alvadesc/

AlvaDesc has been used in "Finding a needle in the haystack: ADME and pharmacokinetics/pharmacodynamics characterization and optimization..." doi.org/10.1080/174604… Check alvaDesc at: alvascience.com/alvadesc/ #moleculardescriptors #machinelearning #cheminformatics

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips ITH – GETAWAY descriptor has been proposed in "Structure/Response Correlations and Similarity/Diversity Analysis by..." doi.org/10.1021/ci0155… via @JCIM_JCTC Check #alvaDesc at: alvascience.com/alvadesc/

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips V total size WHIM index has been described in "New molecular descriptors..." doi.org/10.1002/cem.11… and "The Whim Theory..." doi.org/10.1080/106293… Check #alvaDesc at: alvascience.com/alvadesc/

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips D total accessibility WHIM index has been described in "New molecular descriptors..." doi.org/10.1002/cem.11… and "The Whim Theory..." doi.org/10.1080/106293… Check #alvaDesc at: alvascience.com/alvadesc/

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips K global shape WHIM index has been described in "New molecular descriptors..." doi.org/10.1002/cem.11… and "The Whim Theory..." doi.org/10.1080/106293… Check #alvaDesc at: alvascience.com/alvadesc/

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips Total symmetry WHIM index has been described in "New molecular descriptors..." doi.org/10.1002/cem.11… and "The Whim Theory..." doi.org/10.1080/106293… Check #alvaDesc at: alvascience.com/alvadesc/

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips “A” Total size WHIM index has been described in "New molecular descriptors..." doi.org/10.1002/cem.11… and "The Whim Theory..." doi.org/10.1080/106293… Check #alvaDesc at: alvascience.com/alvadesc/

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips Total size WHIM index has been described in "New molecular descriptors..." doi.org/10.1002/cem.11… and "The Whim Theory..." doi.org/10.1080/106293… Check #alvaDesc at: alvascience.com/alvadesc/

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips Accessibility directional WHIM index has been described in "New molecular descriptors..." doi.org/10.1002/cem.11… Check #alvaDesc at: alvascience.com/alvadesc/

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips Symmetry directional WHIM index has been described in "New molecular descriptors..." doi.org/10.1002/cem.11… and "The Whim Theory..." doi.org/10.1080/106293… Check #alvaDesc at: alvascience.com/alvadesc/

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips Shape directional WHIM index has been described in "New molecular descriptors..." doi.org/10.1002/cem.11… and "The Whim Theory..." doi.org/10.1080/106293… Check #alvaDesc at: alvascience.com/alvadesc/

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips Size directional WHIM index has been described in "New molecular descriptors..." doi.org/10.1002/cem.11… and "The Whim Theory..." doi.org/10.1080/106293… Check #alvaDesc at: alvascience.com/alvadesc/

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips 3D-MoRSE descriptors have been proposed in "The Coding of the Three-Dimensional Structure of Molecules by Molecular..." via @JCIM_JCTC doi.org/10.1021/ci9501… Check #alvaDesc at: alvascience.com/alvadesc/

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips RDF descriptors have been proposed in "Deriving the 3D structure of organic molecules from their infrared spectra" doi.org/10.1016/S0924-… Check #alvaDesc at: alvascience.com/alvadesc/

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips 3D autocorrelations have been proposed in "Topological Distance Based 3D Descriptors for Use in QSAR and Diversity..." via @JCIM_JCTC doi.org/10.1021/ci0256… Check #alvaDesc at: alvascience.com/alvadesc/

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips Aromaticity index has been proposed in "A new aromaticity index and its application to five-membered ring heterocycles" Tetrahedron doi.org/10.1016/S0040-… Check #alvaDesc at: alvascience.com/alvadesc/

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips Harmonic Oscillator Model of Aromaticity index has been proposed in "Separation of the energetic and geometric..." via @JCIM_JCTC doi.org/10.1021/ci9603… Check #alvaDesc at: alvascience.com/alvadesc/

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips Length-to-breadth ratio by WHIM has been described in Todeschini, R., & Consonni, V. (2000). Handbook of Molecular Descriptors. doi.org/10.1002/978352… Check #alvaDesc at: alvascience.com/alvadesc/

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips Asphericity index has been described in Todeschini, R., & Consonni, V. (2000). Handbook of Molecular Descriptors. Weinheim, Germany doi.org/10.1002/978352… Check #alvaDesc at: alvascience.com/alvadesc/

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips RDF descriptors have been proposed in "Deriving the 3D structure of organic molecules from their infrared spectra" doi.org/10.1016/S0924-… Check #alvaDesc at: alvascience.com/alvadesc/

AlvaDesc has been used in "Finding a needle in the haystack: ADME and pharmacokinetics/pharmacodynamics characterization and optimization..." doi.org/10.1080/174604… Check alvaDesc at: alvascience.com/alvadesc/ #moleculardescriptors #machinelearning #cheminformatics

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips 3D-MoRSE descriptors have been proposed in "The Coding of the Three-Dimensional Structure of Molecules by Molecular..." via @JCIM_JCTC doi.org/10.1021/ci9501… Check #alvaDesc at: alvascience.com/alvadesc/

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips ISH – GETAWAY descriptor has been proposed in "Structure/Response Correlations and Similarity/Diversity Analysis by..." doi.org/10.1021/ci0155… via @JCIM_JCTC Check #alvaDesc at: alvascience.com/alvadesc/

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips Asphericity index has been described in Todeschini, R., & Consonni, V. (2000). Handbook of Molecular Descriptors. Weinheim, Germany doi.org/10.1002/978352… Check #alvaDesc at: alvascience.com/alvadesc/

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips Span R descriptor has been proposed in Arteca, G. A. (2007). Molecular Shape Descriptors. In Reviews in Computational Chemistry doi.org/10.1002/978047… Check #alvaDesc at: alvascience.com/alvadesc/

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips Molecular spherosity has been proposed in "Reduced Dimensional Representations of Molecular Structure" via @JCIM_JCTC doi.org/10.1021/ci9704… Check #alvaDesc at: alvascience.com/alvadesc/

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips 3D autocorrelations have been proposed in "Topological Distance Based 3D Descriptors for Use in QSAR and Diversity..." via @JCIM_JCTC doi.org/10.1021/ci0256… Check #alvaDesc at: alvascience.com/alvadesc/

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips Total symmetry WHIM index has been described in "New molecular descriptors..." doi.org/10.1002/cem.11… and "The Whim Theory..." doi.org/10.1080/106293… Check #alvaDesc at: alvascience.com/alvadesc/

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips Aromaticity index has been proposed in "A new aromaticity index and its application to five-membered ring heterocycles" Tetrahedron doi.org/10.1016/S0040-… Check #alvaDesc at: alvascience.com/alvadesc/

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips 3D Petitjean shape index has been proposed in "Applications of the Radius-Diameter Diagram to the Classification of..." via @JCIM_JCTC doi.org/10.1021/ci0000… Check #alvaDesc at: alvascience.com/alvadesc/

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips Maximum intramolecular distance is the maximum Euclidean distance between any atom pair in the molecule Check #alvaDesc at: alvascience.com/alvadesc/

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips Harmonic Oscillator Model of Aromaticity index has been proposed in "Separation of the energetic and geometric..." via @JCIM_JCTC doi.org/10.1021/ci9603… Check #alvaDesc at: alvascience.com/alvadesc/

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips Length-to-breadth ratio by WHIM has been described in Todeschini, R., & Consonni, V. (2000). Handbook of Molecular Descriptors. doi.org/10.1002/978352… Check #alvaDesc at: alvascience.com/alvadesc/

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips K global shape WHIM index has been described in "New molecular descriptors..." doi.org/10.1002/cem.11… and "The Whim Theory..." doi.org/10.1080/106293… Check #alvaDesc at: alvascience.com/alvadesc/

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips ITH – GETAWAY descriptor has been proposed in "Structure/Response Correlations and Similarity/Diversity Analysis by..." doi.org/10.1021/ci0155… via @JCIM_JCTC Check #alvaDesc at: alvascience.com/alvadesc/

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips V total size WHIM index has been described in "New molecular descriptors..." doi.org/10.1002/cem.11… and "The Whim Theory..." doi.org/10.1080/106293… Check #alvaDesc at: alvascience.com/alvadesc/

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips D total accessibility WHIM index has been described in "New molecular descriptors..." doi.org/10.1002/cem.11… and "The Whim Theory..." doi.org/10.1080/106293… Check #alvaDesc at: alvascience.com/alvadesc/