Michael Krein, Ph.D.
Affiliations: | 2011 | Rensselaer Polytechnic Institute, Troy, NY, United States |
Area:
General Chemistry, Materials Science Engineering, Molecular Chemistry, Information ScienceGoogle:
"Michael Krein"Parents
Sign in to add mentor| Curt M. Breneman | grad student | 2011 | RPI | |
| (On the Development and Use of Large Chemical Similarity Networks, Informatics Best Practices and Novel Chemical Descriptors Towards Materials Quantitative Structure Property Relationships.) | ||||
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Publications
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| Kennicutt AR, Morkowchuk L, Krein M, et al. (2016) A quantitative structure–activity relationship to predict efficacy of granular activated carbon adsorption to control emerging contaminants Sar and Qsar in Environmental Research. 27: 653-676 |
| Breneman CM, Brinson LC, Schadler LS, et al. (2013) Stalking the Materials Genome: A Data-Driven Approach to the Virtual Design of Nanostructured Polymers. Advanced Functional Materials. 23: 5746-5752 |
| Wu K, Natarajan B, Morkowchuk L, et al. (2013) From Drug Discovery QSAR to Predictive Materials QSPR: The Evolution of Descriptors, Methods, and Models Informatics For Materials Science and Engineering: Data-Driven Discovery For Accelerated Experimentation and Application. 385-422 |
| Breneman CM, Brinson LC, Schadler LS, et al. (2013) Stalking the materials genome: A data-driven approach to the virtual design of nanostructured polymers Advanced Functional Materials. 23: 5746-5752 |
| Krein MP, Natarajan B, Schadler LS, et al. (2012) Development of materials informatics tools and infrastructure to enable high throughput materials design Materials Research Society Symposium Proceedings. 1425: 1-6 |
| Sukumar N, Krein M, Luo Q, et al. (2012) MQSPR modeling in materials informatics: A way to shorten design cycles? Journal of Materials Science. 47: 7703-7715 |
| Krein M, Huang TW, Morkowchuk L, et al. (2012) Developing Best Practices for Descriptor-based Property Prediction: Appropriate Matching of Datasets, Descriptors, Methods, and Expectations Statistical Modelling of Molecular Descriptors in Qsar/Qspr. 2: 33-64 |
| Bergeron C, Krein M, Moore G, et al. (2011) Modeling Choices for Virtual Screening Hit Identification. Molecular Informatics. 30: 765-77 |
| Bergeron C, Moore G, Krein M, et al. (2011) Exploiting domain knowledge for improved quantitative high-throughput screening curve fitting. Journal of Chemical Information and Modeling. 51: 2808-20 |
| Sukumar N, Das S, Krein M, et al. (2011) Molecular Descriptors for Biological Systems Computational Approaches in Cheminformatics and Bioinformatics. 107-143 |