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Publication search results
found 73 matches
- 2022
- Jiahua Rao, Shuangjia Zheng, Yutong Lu, Yuedong Yang:
Quantitative evaluation of explainable graph neural networks for molecular property prediction. Patterns 3(12): 100628 (2022) - 2021
- Jiahua Rao, Shuangjia Zheng, Yuedong Yang:
Quantitative Evaluation of Explainable Graph Neural Networks for Molecular Property Prediction. CoRR abs/2107.04119 (2021) - 2020
- Asaf Ferber, Asaf Shapira:
A quantitative Lovász criterion for Property B. Comb. Probab. Comput. 29(6): 956-960 (2020) - Raymond Lui, Davy Guan, Slade Matthews:
A comparison of molecular representations for lipophilicity quantitative structure-property relationships with results from the SAMPL6 logP Prediction Challenge. J. Comput. Aided Mol. Des. 34(5): 523-534 (2020) - Gerald M. Maggiora, José L. Medina-Franco, Javed Iqbal, Martin Vogt, Jürgen Bajorath:
From Qualitative to Quantitative Analysis of Activity and Property Landscapes. J. Chem. Inf. Model. 60(12): 5873-5880 (2020) - Ai Zheng, Qi Huang, DongSheng Cai, Jian Li, Shi Jing, Weihao Hu, Jie Wu:
Quantitative Assessment of Stochastic Property of Network-Induced Time Delay in Smart Substation Cyber Communications. IEEE Trans. Smart Grid 11(3): 2407-2416 (2020) - 2019
- Lu Wang, Gabby Lee, Ian Williams:
The Spatial and Social Patterning of Property and Violent Crime in Toronto Neighbourhoods: A Spatial-Quantitative Approach. ISPRS Int. J. Geo Inf. 8(1): 51 (2019) - Dmitry V. Zankov, Timur I. Madzhidov, Asima I. Rakhimbekova, Timur Gimadiev, Ramil I. Nugmanov, Marina A. Kazymova, Igor I. Baskin, Alexandre Varnek:
Conjugated Quantitative Structure-Property Relationship Models: Application to Simultaneous Prediction of Tautomeric Equilibrium Constants and Acidity of Molecules. J. Chem. Inf. Model. 59(11): 4569-4576 (2019) - Jianhua Ren, Xiaojie Li, Sijia Li, Honglei Zhu, Kai Zhao:
Quantitative Analysis of Spectral Response to Soda Saline-AlkaliSoil after Cracking Process: A Laboratory Procedure to Improve Soil Property Estimation. Remote. Sens. 11(12): 1406 (2019) - 2018
- Matthew M. Parks:
An exact test for comparing a fixed quantitative property between gene sets. Bioinform. 34(6): 971-977 (2018) - 2015
- Michael Fernández, Hongqing Shi, Amanda S. Barnard:
Quantitative Structure-Property Relationship Modeling of Electronic Properties of Graphene Using Atomic Radial Distribution Function Scores. J. Chem. Inf. Model. 55(12): 2500-2506 (2015) - 2014
- Vishwesh Venkatraman, Per-Olof Åstrand, Bjørn Kåre Alsberg:
Quantitative structure-property relationship modeling of Grätzel solar cell dyes. J. Comput. Chem. 35(3): 214-226 (2014) - Ana L. Teixeira, André O. Falcão:
Structural Similarity Based Kriging for Quantitative Structure Activity and Property Relationship Modeling. J. Chem. Inf. Model. 54(7): 1833-1849 (2014) - Bin Li, Yan Ma, Xueyang Liu, Xuri Tang:
Quantitative Analysis of "ADV+N" via Cognitive Property Knowledgebase. CLSW 2014: 414-424 - 2013
- Adalbert Kerber, Reinhard Laue, Markus Meringer, Christoph Rücker, Emma Schymanski:
Mathematical Chemistry and Chemoinformatics - Structure Generation, Elucidation and Quantitative Structure-Property Relationships. de Gruyter 2013, ISBN 978-3-11-030007-9, pp. I-XXIX, 1-491 - Ramon Carbó-Dorca:
Notes on quantitative structure-property relationships (QSPR), part 3: Density functions origin shift as a source of quantum QSPR algorithms in molecular spaces. J. Comput. Chem. 34(9): 766-779 (2013) - Sheng Wei, Ani Nahapetian, Miodrag Potkonjak:
Quantitative Intellectual Property Protection Using Physical-Level Characterization. IEEE Trans. Inf. Forensics Secur. 8(11): 1722-1730 (2013) - 2012
- Manuel Hechinger, Kai Leonhard, Wolfgang Marquardt:
What is Wrong with Quantitative Structure-Property Relations Models Based on Three-Dimensional Descriptors? J. Chem. Inf. Model. 52(8): 1984-1993 (2012) - 2010
- Jerónimo Aznar, Javier Ferrís-Oñate, Francisco Guijarro:
An ANP framework for property pricing combining quantitative and qualitative attributes. J. Oper. Res. Soc. 61(5): 740-755 (2010) - Elnaz Delpisheh, John Z. Zhang:
Evaluating Association Rules by Quantitative Pairwise Property Comparisons. ICDM Workshops 2010: 927-934 - 2008
- Mars Cheung, Stephen Johnson, David Hecht, Gary B. Fogel:
Quantitative structure-property relationships for drug solubility prediction using evolved neural networks. IEEE Congress on Evolutionary Computation 2008: 688-693 - Wai-Chung Tang, Catherine L. Zhou, Yu-Liang Wu:
A Quantitative Study of the Routing Architecture Exploring Routing Locality Property for Better Performance and Routability. ERSA 2008: 116-121 - 2007
- Bård Buttingsrud, Bjørn K. Alsberg, Per-Olof Åstrand:
Validation of critical points in the electron density as descriptors by building quantitative structure-property relationships for the atomic polar tensor. J. Comput. Chem. 28(13): 2130-2139 (2007) - Lisheng Wang, Zongben Xu, Qunfei Zhao:
Quantitative Characterizations of Exponential Convergence Property of Nonlinear Discrete Dynamical Systems. IEEE Trans. Autom. Control. 52(11): 2129-2134 (2007) - Martin Oberkönig, Martin Schickel, Hans Eveking:
A Quantitative Completeness Analysis for Property-Sets. FMCAD 2007: 158-161 - 2006
- Igor V. Tetko, Vitaly P. Solov'ev, Alexey V. Antonov, Xiaojun Yao, Jean-Pierre Doucet, Bo Tao Fan, Frank Hoonakker, Denis Fourches, Piere Jost, Nicolas Lachiche, Alexandre Varnek:
Benchmarking of Linear and Nonlinear Approaches for Quantitative Structure-Property Relationship Studies of Metal Complexation with Ionophores. J. Chem. Inf. Model. 46(2): 808-819 (2006) - 2005
- Tomas Öberg:
Boiling Points of Halogenated Aliphatic Compounds: A Quantitative Structure-Property Relationship for Prediction and Validation [J. Chem. Inf. Comput. Sci. 44, 187-192 (2004)]. J. Chem. Inf. Model. 45(2): 534 (2005) - J. J. McDowell, Zahra Ansari:
The Quantitative Law of Effect is a Robust Emergent Property of an Evolutionary Algorithm for Reinforcement Learning. ECAL 2005: 413-422 - 2004
- Alan R. Katritzky, Dan C. Fara, Hongfang Yang, Mati Karelson, Takahiro Suzuki, Vitaly P. Solov'ev, Alexandre Varnek:
Quantitative Structure-Property Relationship Modeling of beta-Cyclodextrin Complexation Free Energies. J. Chem. Inf. Model. 44(2): 529-541 (2004) - Tomas Öberg:
Boiling Points of Halogenated Aliphatic Compounds: A Quantitative Structure-Property Relationship for Prediction and Validation. J. Chem. Inf. Model. 44(1): 187-192 (2004)
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