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Molecular Descriptors Influencing Melting Point and Their Role in Classification of Solid Drugs.

, , , and . Journal of Chemical Information and Computer Sciences, 43 (4): 1177-1185 (2003)

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Conformal Prediction in Spark: Large-Scale Machine Learning with Confidence., , , and . BDC, page 61-67. IEEE Computer Society, (2015)Pre-Processing Structured Data for Standard Machine Learning Algorithms by Supervised Graph Propositionalization - A Case Study with Medicinal Chemistry Datasets., , and . ICMLA, page 828-833. IEEE Computer Society, (2010)Molecular Descriptors Influencing Melting Point and Their Role in Classification of Solid Drugs., , , and . Journal of Chemical Information and Computer Sciences, 43 (4): 1177-1185 (2003)A Pragmatic Approach Using First-Principle Methods to Address Site of Metabolism with Implications for Reactive Metabolite Formation., , , and . Journal of Chemical Information and Modeling, 52 (3): 686-695 (2012)Improving Screening Efficiency through Iterative Screening Using Docking and Conformal Prediction., , and . J. Chem. Inf. Model., 57 (3): 439-444 (2017)Comprehensible Models for Predicting Molecular Interaction with Heart-Regulating Genes., , , and . ICMLA, page 559-564. IEEE Computer Society, (2008)Correction to Üsing Predicted Bioactivity Profiles to Improve Predictive Modeling"., , and . J. Chem. Inf. Model., 60 (12): 6722 (2020)Using Predicted Bioactivity Profiles to Improve Predictive Modeling., , and . J. Chem. Inf. Model., 60 (6): 2830-2837 (2020)Maximizing Gain in HTS Screening Using Conformal Prediction., , , and . COPA, volume 60 of Proceedings of Machine Learning Research, page 103-117. PMLR, (2017)CPSign: conformal prediction for cheminformatics modeling., , , , , and . J. Cheminformatics, 16 (1): 75 (December 2024)