Literature DB >> 23297768

Combination of similarity rankings using data fusion.

Peter Willett1.   

Abstract

Mesh:

Year:  2013        PMID: 23297768     DOI: 10.1021/ci300547g

Source DB:  PubMed          Journal:  J Chem Inf Model        ISSN: 1549-9596            Impact factor:   4.956


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  23 in total

1.  Linking Gaussian process regression with data-driven manifold embeddings for nonlinear data fusion.

Authors:  Seungjoon Lee; Felix Dietrich; George E Karniadakis; Ioannis G Kevrekidis
Journal:  Interface Focus       Date:  2019-04-19       Impact factor: 3.906

2.  Quantum probability ranking principle for ligand-based virtual screening.

Authors:  Mohammed Mumtaz Al-Dabbagh; Naomie Salim; Mubarak Himmat; Ali Ahmed; Faisal Saeed
Journal:  J Comput Aided Mol Des       Date:  2017-02-20       Impact factor: 3.686

3.  In-silico guided discovery of novel CCR9 antagonists.

Authors:  Xin Zhang; Jason B Cross; Jan Romero; Alexander Heifetz; Eric Humphries; Katie Hall; Yuchuan Wu; Sabrina Stucka; Jing Zhang; Haoqun Chandonnet; Blaise Lippa; M Dominic Ryan; J Christian Baber
Journal:  J Comput Aided Mol Des       Date:  2018-03-26       Impact factor: 3.686

4.  Extended continuous similarity indices: theory and application for QSAR descriptor selection.

Authors:  Anita Rácz; Timothy B Dunn; Dávid Bajusz; Taewon D Kim; Ramón Alain Miranda-Quintana; Károly Héberger
Journal:  J Comput Aided Mol Des       Date:  2022-03-15       Impact factor: 3.686

5.  Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning.

Authors:  Joel Ricci-Lopez; Sergio A Aguila; Michael K Gilson; Carlos A Brizuela
Journal:  J Chem Inf Model       Date:  2021-10-15       Impact factor: 4.956

6.  Fusing dual-event data sets for Mycobacterium tuberculosis machine learning models and their evaluation.

Authors:  Sean Ekins; Joel S Freundlich; Robert C Reynolds
Journal:  J Chem Inf Model       Date:  2013-10-30       Impact factor: 4.956

7.  Combination of consensus and ensemble docking strategies for the discovery of human dihydroorotate dehydrogenase inhibitors.

Authors:  Garri Chilingaryan; Narek Abelyan; Arsen Sargsyan; Karen Nazaryan; Andre Serobian; Hovakim Zakaryan
Journal:  Sci Rep       Date:  2021-06-01       Impact factor: 4.379

8.  Why is Tanimoto index an appropriate choice for fingerprint-based similarity calculations?

Authors:  Dávid Bajusz; Anita Rácz; Károly Héberger
Journal:  J Cheminform       Date:  2015-05-20       Impact factor: 5.514

9.  Understanding the foundations of the structural similarities between marketed drugs and endogenous human metabolites.

Authors:  Steve O'Hagan; Douglas B Kell
Journal:  Front Pharmacol       Date:  2015-05-13       Impact factor: 5.810

10.  The use of 2D fingerprint methods to support the assessment of structural similarity in orphan drug legislation.

Authors:  Pedro Franco; Nuria Porta; John D Holliday; Peter Willett
Journal:  J Cheminform       Date:  2014-02-01       Impact factor: 5.514

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