Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction | Paper Citation Record

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This paper cites & Nicolaou, C.

Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction & Nicolaou, C

Reference 1

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Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction S., Riley, P

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This paper cites URL https://doi.org/10.1021/acs.jcim.

Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction URL https://doi.org/10.1021/acs.jcim

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Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction URL https://www.nature.com/articles/ s42256-021-00438-4

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Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction & Hahn, M

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This paper cites L., Leland, B.

Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction L., Leland, B

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Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction & Bender, A

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This paper cites SMILES, a chemical language and information system.

Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction SMILES, a chemical language and information system

Reference 10

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This paper cites & Aspuru-Guzik, A.

Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction & Aspuru-Guzik, A

Reference 11

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Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction & Bjerrum, E

Reference 12

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Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction & Do˘ gan, T

Reference 13

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This paper cites SMILES2Vec: An Interpretable General-Purpose Deep Neural Network for Predicting Chemical Properties.

Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction SMILES2Vec: An Interpretable General-Purpose Deep Neural Network for Predicting Chemical Properties

Reference 14

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This paper cites URL https://www.nature.com/articles/ s42256-022-00580-7.

Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction URL https://www.nature.com/articles/ s42256-022-00580-7

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Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction & Jegelka, S

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Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction URL https://www.ijcai.org/proceedings/2020/392

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This paper cites & Lee, C.-K.Motif-based graph self-supervised learning for molecular property prediction, NIPS ’21, 15870–15882 (Curran Associates Inc., Red Hook, NY, USA, 2024).

Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction & Lee, C.-K.Motif-based graph self-supervised learning for molecular property prediction, NIPS ’21, 15870–15882 (Curran Associates Inc., Red Hook, NY, USA, 2024)

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Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction & Barati Farimani, A

Reference 22

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Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction URL https://www.nature.com/articles/ s42256-023-00654-0

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This paper cites Stop explaining black box machine learning models for high stakes decisions and use interpretable models instead.Nature Machine Intelligence1, 206–215 (2019).

Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction Stop explaining black box machine learning models for high stakes decisions and use interpretable models instead.Nature Machine Intelligence1, 206–215 (2019)

Reference 24

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Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction URL https://doi.org/10.1093/nar/gkv951

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Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction & Veeramachaneni, K

Reference 26

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Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction A., Poda, G

Reference 27

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This paper cites Pre-training Molecular Graph Representation with 3D Geometry(2021).

Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction Pre-training Molecular Graph Representation with 3D Geometry(2021)

Reference 28

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Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction Unresolved cited work

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This paper cites Aromatic interactions at the ligand-protein interface: Implications for the development of docking scoring functions.Chemical Biology & Drug Design91, 380–390 (2018).

Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction Aromatic interactions at the ligand-protein interface: Implications for the development of docking scoring functions.Chemical Biology & Drug Design91, 380–390 (2018)

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This paper cites C.et al.3D Molecular Descriptors Important for Clinical Success.Journal of Chemical Information and Modeling53, 327–342 (2013).

Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction C.et al.3D Molecular Descriptors Important for Clinical Success.Journal of Chemical Information and Modeling53, 327–342 (2013)

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Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction URL https://doi.org/10.1021/ acs.jmedchem.4c00652

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Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction L.et al.The effect of halogenation on blood-brain barrier permeability of a novel peptide drug.Peptides20, 1229–1238 (1999)

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Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction A., Ismail, N

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Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction R., Schauperl, M

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This paper cites P.et al.Flavonoid and Chalcone Scaffolds as Inhibitors of BACE1: Recent Updates.

Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction P.et al.Flavonoid and Chalcone Scaffolds as Inhibitors of BACE1: Recent Updates

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Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction URL https://doi.org/10.1021/jm3011405

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Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction URL https: //www.sciencedirect.com/science/article/pii/S0960894X06001636

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Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction URL https://www.sciencedirect.com/science/ article/pii/S0223523418304446

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Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction & Stiefl, N

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This paper cites URL https://doi.org/10.1186/ s13068-023-02401-4.

Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction URL https://doi.org/10.1186/ s13068-023-02401-4

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Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction Hussein, A

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This paper cites URL https://www.frontiersin.org/journals/microbiology/articles/10.3389/ fmicb.2021.738896/full.

Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction URL https://www.frontiersin.org/journals/microbiology/articles/10.3389/ fmicb.2021.738896/full

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Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction B.et al.Recent Advances in Pyridine Scaffold: Focus on Chemistry, Syn- thesis, and Antibacterial Activities.BioMed Research International2023, 9967591 (2023)

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Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction P., Biabani, M

Reference 53

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Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction C., Johnson, J

Reference 54

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This paper cites RDKit: A software suite for cheminformatics, computational chemistry, and predictive modeling.Greg Landrum8, 31 (2013).

Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction RDKit: A software suite for cheminformatics, computational chemistry, and predictive modeling.Greg Landrum8, 31 (2013)

Reference 56

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Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction URL https://www

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Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction & Sun, J

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Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction & Doll´ ar, P

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Observation f2a773b4-9147-4f84-9085-073d795ccc51 · outbound

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Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction & Hinton, G

Reference 61

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Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction & Neyshabur, B

Reference 62

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Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction F., Teixeira, A

Reference 64

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Reference 66

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Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction M., Madhukar, N

Reference 68

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Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction & Denny, R

Reference 69

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Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction URL https://wiki.nci.nih.gov/display/ NCIDTPdata/AIDS+Antiviral+Screen+Data

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Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction Unresolved cited work

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Observation cfb02da6-d11a-4464-b22e-419ea9e31f00 · outbound

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Reference 76

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Reference 77

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Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction & Schmidt, F

Reference 78

Resolution: verified exact; doi, observed 2026-08-04T18:59:34.280629Z

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Observation 9fdf1ab6-ad77-422d-9ccf-54b384e573c7 · outbound

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Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction URL https://doi.org/10.1021/acs.jmedchem.9b00959

Reference 79

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Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction & Pei, J

Reference 80

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Observation 10756527-32f3-4d71-b3fc-f7dbbc4cf58c · outbound

This paper cites M.et al.A Deep Learning Approach to Antibiotic Discovery.Cell180, 688–702.e13 (2020).

Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction M.et al.A Deep Learning Approach to Antibiotic Discovery.Cell180, 688–702.e13 (2020)

Reference 81

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Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction URL https://www.nature.com/articles/ s41467-020-18709-w

Reference 82

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Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction & Garwicz, D

Reference 83

Resolution: verified exact; doi, observed 2026-08-04T18:59:34.247232Z

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Observation 2ae08232-5c33-4cca-9edf-d10e70f77e1c · outbound

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Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction Captum: A unified and generic model interpretability library for PyTorch

Reference 84

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Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction & Yan, Q

Reference 85

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Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction Unresolved cited work

Reference 86

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Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction & Dominici, F

Reference 87

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Reference 88

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