Plante J - Search Results

1

JPlogP: an improved logP predictor trained using predicted data.

Plante J, Werner S. Plante J, et al. J Cheminform. 2018 Dec 14;10(1):61. doi: 10.1186/s13321-018-0316-5. J Cheminform. 2018. PMID: 30552535 Free PMC article.

2

Avoiding hERG-liability in drug design via synergetic combinations of different (Q)SAR methodologies and data sources: a case study in an industrial setting.

Hanser T, Steinmetz FP, Plante J, Rippmann F, Krier M. Hanser T, et al. Among authors: plante j. J Cheminform. 2019 Feb 2;11(1):9. doi: 10.1186/s13321-019-0334-y. J Cheminform. 2019. PMID: 30712151 Free PMC article.

3

Enhancing Carbon Acid pK_a Prediction by Augmentation of Sparse Experimental Datasets with Accurate AIBL (QM) Derived Values.

Plante J, Caine BA, Popelier PLA. Plante J, et al. Molecules. 2021 Feb 17;26(4):1048. doi: 10.3390/molecules26041048. Molecules. 2021. PMID: 33671348 Free PMC article.

4

A quantitative in silico model for predicting skin sensitization using a nearest neighbours approach within expert-derived structure-activity alert spaces.

Canipa SJ, Chilton ML, Hemingway R, Macmillan DS, Myden A, Plante JP, Tennant RE, Vessey JD, Steger-Hartmann T, Gould J, Hillegass J, Etter S, Smith BPC, White A, Sterchele P, De Smedt A, O'Brien D, Parakhia R. Canipa SJ, et al. Among authors: plante jp. J Appl Toxicol. 2017 Aug;37(8):985-995. doi: 10.1002/jat.3448. Epub 2017 Feb 28. J Appl Toxicol. 2017. PMID: 28244128

5

Predicting pK_a Using a Combination of Semi-Empirical Quantum Mechanics and Radial Basis Function Methods.

Hunt P, Hosseini-Gerami L, Chrien T, Plante J, Ponting DJ, Segall M. Hunt P, et al. Among authors: plante j. J Chem Inf Model. 2020 Jun 22;60(6):2989-2997. doi: 10.1021/acs.jcim.0c00105. Epub 2020 May 18. J Chem Inf Model. 2020. PMID: 32357002

6

A Semi-automated Approach to Create Purposeful Mechanistic Datasets from Heterogeneous Data: Data Mining Towards the in silico Predictions for Oestrogen Receptor Modulation and Teratogenicity.

Bashir Surfraz M, Fowkes A, Plante JP. Bashir Surfraz M, et al. Mol Inform. 2017 Aug;36(8). doi: 10.1002/minf.201600154. Epub 2017 Apr 24. Mol Inform. 2017. PMID: 28436609

7

Macrocyclic scaffolds derived from p-aminobenzoic acid.

Campbell F, Plante J, Carruthers C, Hardie MJ, Prior TJ, Wilson AJ. Campbell F, et al. Among authors: plante j. Chem Commun (Camb). 2007 Jun 14;(22):2240-2. doi: 10.1039/b704366j. Epub 2007 May 8. Chem Commun (Camb). 2007. PMID: 17534503

8

Oligobenzamide proteomimetic inhibitors of the p53-hDM2 protein-protein interaction.

Plante JP, Burnley T, Malkova B, Webb ME, Warriner SL, Edwards TA, Wilson AJ. Plante JP, et al. Chem Commun (Camb). 2009 Sep 14;(34):5091-3. doi: 10.1039/b908207g. Epub 2009 Jun 24. Chem Commun (Camb). 2009. PMID: 20448956 Free PMC article.

9

Solid-phase methodology for synthesis of O-alkylated aromatic oligoamide inhibitors of α-helix-mediated protein-protein interactions.

Murphy NS, Prabhakaran P, Azzarito V, Plante JP, Hardie MJ, Kilner CA, Warriner SL, Wilson AJ. Murphy NS, et al. Among authors: plante jp. Chemistry. 2013 Apr 26;19(18):5546-50. doi: 10.1002/chem.201204098. Epub 2013 Mar 18. Chemistry. 2013. PMID: 23508712 Free PMC article.

10

N-alkylated oligoamide alpha-helical proteomimetics.

Campbell F, Plante JP, Edwards TA, Warriner SL, Wilson AJ. Campbell F, et al. Among authors: plante jp. Org Biomol Chem. 2010 May 21;8(10):2344-51. doi: 10.1039/c001164a. Epub 2010 Mar 18. Org Biomol Chem. 2010. PMID: 20448891

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