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Recent advances in the area of plant-based anti-cancer drug discovery using computational approaches
Phytocompounds are a well-established source of drug discovery due to their unique
chemical and functional diversities. In the area of cancer therapeutics, several …
chemical and functional diversities. In the area of cancer therapeutics, several …
Plant reactome and PubChem: the plant pathway and (Bio) Chemical Entity Knowledgebases
Abstract Plant Reactome (https://plantreactome. gramene. org) and PubChem
(https://pubchem. ncbi. nlm. nih. gov) are two reference data portals and resources for …
(https://pubchem. ncbi. nlm. nih. gov) are two reference data portals and resources for …
Free and open-source QSAR-ready workflow for automated standardization of chemical structures in support of QSAR modeling
The rapid increase of publicly available chemical structures and associated experimental
data presents a valuable opportunity to build robust QSAR models for applications in …
data presents a valuable opportunity to build robust QSAR models for applications in …
PubChem synonym filtering process using crowdsourcing
Abstract PubChem (https://pubchem. ncbi. nlm. nih. gov) is a public chemical information
resource containing more than 100 million unique chemical structures. One of the most …
resource containing more than 100 million unique chemical structures. One of the most …
Identification of potential PIM-2 inhibitors via ligand-based generative models, molecular docking and molecular dynamics simulations
T Qin, Y Wang, M Kong, H Zhong, T Wu, Z **, Z Qian… - Molecular Diversity, 2024 - Springer
Abstract Proviral Integrations of Moloney-2 (PIM-2) kinase is a promising target for various
cancers and other diseases, and its inhibitors hold potential for treating related diseases …
cancers and other diseases, and its inhibitors hold potential for treating related diseases …
Machine learning methods in antiviral drug discovery
OA Tarasova, AV Rudik, SM Ivanov, AA Lagunin… - … Computational Tools in …, 2021 - Springer
The rapid spread of viral infections leads to a considerable amount of newly infected people
with a high risk of severe complications and death. The ease of virus transmission provides …
with a high risk of severe complications and death. The ease of virus transmission provides …