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ADMETlab: a platform for systematic ADMET evaluation based on a comprehensively collected ADMET database

Journal of cheminformatics, 2018-06, Vol.10 (1), p.29-11, Article 29

2018

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propy: a tool to generate various modes of Chou's PseAAC

Bioinformatics, 2013-04, Vol.29 (7), p.960-962

2013

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PyBioMed: a python library for various molecular representations of chemicals, proteins and DNAs and their interactions

Journal of cheminformatics, 2018-03, Vol.10 (1), p.16-16, Article 16

2018

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TargetNet: a web service for predicting potential drug–target interaction profiling via multi-target SAR models

Journal of computer-aided molecular design, 2016-05, Vol.30 (5), p.413-424

2016

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ChemoPy: freely available python package for computational biology and chemoinformatics

Bioinformatics, 2013-04, Vol.29 (8), p.1092-1094

2013

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The ups and downs of Poly(ADP-ribose) Polymerase-1 inhibitors in cancer therapy–Current progress and future direction

European journal of medicinal chemistry, 2020-10, Vol.203, p.112570-112570, Article 112570

2020

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ADME Properties Evaluation in Drug Discovery: Prediction of Caco‑2 Cell Permeability Using a Combination of NSGA-II and Boosting

Journal of chemical information and modeling, 2016-04, Vol.56 (4), p.763-773

2016

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Comprehensive evaluation of deep and graph learning on drug–drug interactions prediction

Briefings in bioinformatics, 2023-07, Vol.24 (4)

2023

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ChemDes: an integrated web-based platform for molecular descriptor and fingerprint computation

Journal of cheminformatics, 2015-12, Vol.7 (1), Article 60

2015

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A network pharmacology approach to understanding the mechanisms of action of traditional medicine: Bushenhuoxue formula for treatment of chronic kidney disease

PloS one, 2014-03, Vol.9 (3), p.e89123-e89123

2014

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Improving Docking-Based Virtual Screening Ability by Integrating Multiple Energy Auxiliary Terms from Molecular Docking Scoring

Journal of chemical information and modeling, 2020-09, Vol.60 (9), p.4216-4230

2020

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The effectiveness of propranolol in treating infantile haemangiomas: a meta‐analysis including 35 studies

British journal of clinical pharmacology, 2014-07, Vol.78 (1), p.44-57

2014

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Improving structure-based virtual screening performance via learning from scoring function components

Briefings in bioinformatics, 2021-05, Vol.22 (3)

2021

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Graph deep learning enabled spatial domains identification for spatial transcriptomics

Briefings in bioinformatics, 2023-05, Vol.24 (3)

2023

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Comprehensive assessment of nine target prediction web services: which should we choose for target fishing?

Briefings in bioinformatics, 2023-03, Vol.24 (2)

2023

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HAMdb: a database of human autophagy modulators with specific pathway and disease information

Journal of cheminformatics, 2018-07, Vol.10 (1), p.34-8, Article 34

2018

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Current advances in ligand‐based target prediction

Wiley interdisciplinary reviews. Computational molecular science, 2021-05, Vol.11 (3), p.e1504-n/a

2021

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ABC-Net: a divide-and-conquer based deep learning architecture for SMILES recognition from molecular images

Briefings in bioinformatics, 2022-03, Vol.23 (2)

2022

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BioNet: a large-scale and heterogeneous biological network model for interaction prediction with graph convolution

Briefings in bioinformatics, 2022-01, Vol.23 (1)

2022

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new strategy of outlier detection for QSAR/QSPR

Journal of computational chemistry, 2010-02, Vol.31 (3), p.592-602

2010

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Machine learning to predict metabolic drug interactions related to cytochrome P450 isozymes

Journal of cheminformatics, 2022-04, Vol.14 (1), p.23-23, Article 23

2022

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An overview of variable selection methods in multivariate analysis of near-infrared spectra

TrAC, Trends in analytical chemistry (Regular ed.), 2019-04, Vol.113, p.102-115

2019

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ChemMORT: an automatic ADMET optimization platform using deep learning and multi-objective particle swarm optimization

Briefings in bioinformatics, 2024-03, Vol.25 (2)

2024

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DKADE: a novel framework based on deep learning and knowledge graph for identifying adverse drug events and related medications

Briefings in bioinformatics, 2023-07, Vol.24 (4)

2023

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Reducing false positive rate of docking-based virtual screening by active learning

Briefings in bioinformatics, 2023-01, Vol.24 (1)

2023

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ADMETlab: a platform for systematic ADMET evaluation based on a comprehensively collected ADMET database

propy: a tool to generate various modes of Chou's PseAAC

PyBioMed: a python library for various molecular representations of chemicals, proteins and DNAs and their interactions

TargetNet: a web service for predicting potential drug–target interaction profiling via multi-target SAR models

ChemoPy: freely available python package for computational biology and chemoinformatics

The ups and downs of Poly(ADP-ribose) Polymerase-1 inhibitors in cancer therapy–Current progress and future direction

ADME Properties Evaluation in Drug Discovery: Prediction of Caco‑2 Cell Permeability Using a Combination of NSGA-II and Boosting

Comprehensive evaluation of deep and graph learning on drug–drug interactions prediction

ChemDes: an integrated web-based platform for molecular descriptor and fingerprint computation

A network pharmacology approach to understanding the mechanisms of action of traditional medicine: Bushenhuoxue formula for treatment of chronic kidney disease

Improving Docking-Based Virtual Screening Ability by Integrating Multiple Energy Auxiliary Terms from Molecular Docking Scoring

The effectiveness of propranolol in treating infantile haemangiomas: a meta‐analysis including 35 studies

Improving structure-based virtual screening performance via learning from scoring function components

Graph deep learning enabled spatial domains identification for spatial transcriptomics

Comprehensive assessment of nine target prediction web services: which should we choose for target fishing?

HAMdb: a database of human autophagy modulators with specific pathway and disease information

Current advances in ligand‐based target prediction

ABC-Net: a divide-and-conquer based deep learning architecture for SMILES recognition from molecular images

BioNet: a large-scale and heterogeneous biological network model for interaction prediction with graph convolution

new strategy of outlier detection for QSAR/QSPR

Machine learning to predict metabolic drug interactions related to cytochrome P450 isozymes

An overview of variable selection methods in multivariate analysis of near-infrared spectra

ChemMORT: an automatic ADMET optimization platform using deep learning and multi-objective particle swarm optimization

DKADE: a novel framework based on deep learning and knowledge graph for identifying adverse drug events and related medications

Reducing false positive rate of docking-based virtual screening by active learning

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