Melting Point Prediction Employing k-Nearest Neighbor Algorithms and Genetic Parameter Optimization-Reference-Cited by-同舟云学术

Melting Point Prediction Employing k-Nearest Neighbor Algorithms and Genetic Parameter Optimization

Published:2006-09-16 Issue:6 Volume:46 Page:2412-2422
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Nigsch Florian¹,Bender Andreas¹,van Buuren Bernd¹,Tissen Jos¹,Nigsch Eduard¹,Mitchell John B. O.¹

Affiliation:

1. Unilever Centre for Molecular Science Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, CB2 1EW, United Kingdom, Lead Discovery Informatics, Novartis Institutes for BioMedical Research Inc., 250 Massachusetts Ave., Cambridge, Massachusetts 02139, Unilever R&D Vlaardingen, Food and Health Research Institute, Olivier van Noortlaan 120, 3133 AC Vlaardingen, The Netherlands, and Faculty of Mathematics and Geoinformation, Vienna University of Technology, Karlsplatz 13,...

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ci060149f

Reference56 articles.

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